- InChI
- InChI=1S/C8H14ClN3O2S/c9-3-4-12(11-14)8(13)10-7-1-5-15-6-2-7/h7H,1-6H2,(H,10,13)
- InChI Key
- XPJOIOLIBUKQBN-UHFFFAOYSA-N
- Formula
- C8H14ClN3O2S
- SMILES
- O=NN(CCCl)C(=O)NC1CCSCC1
- Molecular Weight1
- 251.73
- CAS
- 33022-01-4
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7106 | Relay (... Calculated Property | |
| ΔfG° | 123.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -205.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -1.95 | Relay (... Calculated Property | |
| logPoct/wat | 1.814 | Crippen Calculated Property | |
| McVol | 174.390 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 600.78 | K | Relay (... Calculated Property |
| Tc | 870.10 | K | Relay (... Calculated Property |
| Tfus | 376.74 | K | Relay (... Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![1-(2-Chloro-3-(1-[(cyclohexylamino)carbonyl]-2-oxohydrazino)propyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAWK0lEQVR4nO3de1iUZfoH8HuACTmEIJ4AhUIXQswDq166aHgWw9PmEnVdYcsu8cu6gj0lpG1kRqKVTe6V67ipi1r8svSnqK1FmIbloQXJNIRMPIAagiJHYWTu3x/POBIiMwzvqw7P9/PXePlyP+8M33nmeYf3vV8NMxOAHBzu9g4A3DmIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJxUrbc+fPnT58+ffny5cjISCcnhYsDdJJis3tDQ8OyZctCQkJmz549c+bMwYMHf/bZZ0oVB1CEAnFn5g8++CA4ODglJaW6ujokJCQgIKCoqCgyMjImJubcuXOdHwKkcvXq1QULFmRmZr700ku1tbVKlubOOXToUHh4uCgVFha2d+9eZm5sbNTpdPfffz8Rubq6pqamNjQ0dHIgkIHBYFi1alWvXr2IqHv37kTk5+f34YcfGo1GRerbHvdz587FxsZqNBoi8vX11ev1169fb7lBaWmpeYP+/ftnZGR0em+hK8vOzh4yZIiYOkePHr1u3boxY8aIfz7yyCMFBQWdH8KWuNfW1qampnbr1k1M3snJydXV1bfbeO/evebnMGnSpGPHjnVib6FrOnHiRHR0tAiJv79/RkaGmM6NRmNGRkafPn2IyMHBITY2try8vDMDdSzuzc3NGRkZffv2JSKNRhMdHV1SUmLxpwwGg16v79mzJxFptdrExMSrV6/auL/QtVRWViYnJ993331E5O7u3ua698qVK+ZtvLy8dDpdq3WE9ToQ95ycnKFDh4q34KhRo77++usOjVRZWZmYmOjo6EhEPj4+5ncwyKmpqUmn03l6eppn7osXL7az/YkTJyIjI0X8hg8fnpuba8OgVsW9qKjI/FkjVuE2JzUvL+83v/mNKDVy5MiDBw/aVsdazc28cSO/8grv2qXuQNARWVlZAwcOFDGYPHny0aNHrf/BBx54wLy4OHPmTIfGtRz35ORkrVZLRB4eHunp6Z3/jkUsyMSKSJEFWXuSkjgjg8+f54ULWa9XaxR798EHnJDAf/kLl5WpPVReXl5ERIQIenBw8I4dOzpaob6+3nzo6Obmlpqaeu3aNSt/1kLcDxw4MHXqVBHKCxcudHTP2iGOd52dnR0cHLZv365g5V+YMMH0wGDgyZPVGsWuffIJJyczM5eU8KRJrNoKs6ysLCEhQaxme/ToodPpDAaDzdXEF4PibfOrX/1q586d1vyUhbi//vrrRPTMM8/YvFvty8/PJyIXFxdVqhuNPGnSzX9OnKjKKPYuLo5PnzY9fvppPntWjUFKS0vd3d2JyNnZ+cUXX6yqqlKk7O7dux966CER+tmzZzc2Nra/vYW/qjY3N4sjy/Y3s1lQUBAROTioc6aaRkNublRWRkSUm0s3vg+FO2/JkiWurq4TJ048fvz48uXLxZ+QOm/atGlHjx7V6XTu7u4lJSWff/55+9tbOIvLaDQSkfhTkRpEfbXiTkQ6Hb38Mmm1pNVSWppao9i1yEhat44WL6bz56m0lPr1U2OQAwcOlJeXv/POOwMGDFC2slarTUpKYuY///nPn3zyyYwZM9rZ2ELcmZnUjKP49BDrOeXl5FBuLv3hDzRuHGVmkl5PTz5J/v6qjGW/oqOpupoSEqhbN1q3jtSZ2tT9RRN5eHhYU9+qxYx6e6nu7J6bS4sXU04OEZFeTykpVFKiykD2q6yMYmLo+HFas4bmzqW0NPrwQzXGUftj3Mr6Fv77HtlLGzETEYniRuPNx2BWVUUff0zZ2URE339Pa9bQgQNqjHOPBKlLx71lxBH3Nt2pl+geCdJdjru6iyXE3aI79RKpvSq2sn6XXrs3NxMRiZ1v+RjMbn2JMLvf9b20uToRZvd23foSqTMj3CNBQtzlhrW7DVVsJhZLKtX/R7dusSEhW11diehFH5/YkJAfsZhpBWt3G6rYTLydVKp/sqZmU2FhqcFARJ+fO7epsLBBtT8P26lvjEYNUbiDAxGtdHQM9PRM12rVGAizu+r1WxZX+31rp1q+LFXXrpVUVTWoM9A9EiRZ4q76yTn26daXSKXzo+6RICHuUmv5sqh6fhTW7qrXR9wtumMv0T0yb1o1u585c0ap3Wrl+vXr5lEU1/K9hLV7m+7YS6R23MVHk8WVmIXhFyxYMGTIkMWLF8+bN6+8vFyxvSMioj179sTGxnp7excVFc2bN+/SpUvK1vf29vbx8Vm2bFlSUlJDQ0NAQIBo3qCsLVu2bN++fcmSJTU1NYoXJyJmPnjw4PHjx+vq6hQvbl6vGwwGg8FAdju7W/tebf9ip8bGxgULFphbfKxcubIz1xeaFRUVzZo1S+yAt7e36BXs7e29evVqm1uItHL06NEpU6aIIUT93r17r127trm5WZH63OIqY9E9wsfHR6/XK1ifb/QkdHBw8Pf39/X1VbxbSX5+/rhx4/r06fPHP/7Ry8srNDT0o48+UrC+8Omnn4ogbtmyRfHiwty5c4koLS2t/c2sarxRXFwcFRUlohMcHLx7926bd+vy5cvJycnOzs504zLyhoaGli1Ehg0bZlsLEbOKiorExEQRcS8vr/T09MOHD48bN07UDwsL62iHnFu1vMrY29v7b3/7m+LdREpKSmJiYsSnc58+fcRVjkQUERHx3Xffdb4+MxcXF8+ePVuUNV9NN3ny5B9++EGR+sx87NixadOmtZxeH3300eLiYqXqM3NeXt748eOJaMaMGRabfHWgrVJWVlZgYKDYaWtKt9LU1KTX60W3yzZbG3z88cf+/v5EpNFoYmPnlZV1eJpsaGhOT08XF7aIdmWVlZUt9z8gIOBGfQtNfG6nrq4uPT1ddHsVQ4irjG/tJvLzzz/bUJ9/2ZPQxcVF9CQU9Xv37m2uf+nSJdvqc1uTTm1tbUZGhvjtODk5mZ+XzUQXLTHpeHp6vvHGG++99563tzcp10murKwsLi5OLJB69uy5evVqiz/SsaZ5Nrf2zc7ODg0NFW+ViRMn3q69pWgh4uLiMm7c/7i5cWoqW91BhLOyODCQR4x4WUxR33///a3b1NXViSRpNJoRIw6kprKlS9dvMhp5wwaeNeuf4ln87ne/++mnn1ptY+4mQjfau3Vo7WexJ+Hly5dfeOEFkaFevXpt2nSqo0unpibW6z8UsXN0dIyPj2856VRUVDz77LPiU6tv374ZGf9rw9KpZXswJyenhIQE8ztffPB2vpNcfX19q3ntypUr1vygLS1RW7b2HTBgwObNm9vZ+Icffnj00UdFRIKCgtrfWDh16tRTT1UQMREHBfF//mNh+8OHOTycxfbTp1dnZ2e3v31xcfH8+SvF9oMG8RdfWNwjzs3lkSOZiLXapqiomK+++qqdjYuKiqZPny6e8tChQ9vf2Mz6noSFhYXTpk0bMGCmVsthYbx/vzXlmZmzs3nwYB41KouIJkyYcOTIkTY3O3LkyNixY4koIuLbX/+av/nG2vrMnJXFw4dXenn1oNu3B2vZSW7UqFGHDh2yvr7RaNy8ebNoJCZWGSdPnrT+x21veG2xtW/Lt7JYQ1vf7YmZc3I4NNQU4hkz+JaZlJm5tJQTEtjBgYnY25t1Orb+QDc7m0NCbtY/dartzc6e5dhY1miYiH19Wa+3doisrKwHH3zQ/Fs5be7lcgvbehJu3Xqlf38mYo2Gn36a2+95dfQoT5nC5hlk1y4L70Cj0ZiZ+X/+/kYidnDg+Hi22Ojtv//lRx4xDfH44xs/++yz9uvb0Nq3zZsJdEinbmdwu9a+Ys0jjn60Wm1CQoJtbfGamvitt9jDg4m4Wzd+801+9VVT2tav52XL2NXV9F8pKWzDUvDaNV66lN3cmIhdXXnxYs7PN/1eL13i4mJOTeVu3Uz/m5zMt2/r3TbxmSvaCbW59mvzwN36+nV1N/fwdmu/igpOTGQnJyZiLy9OT+/A+rC2llNT2dmZidjTk9PT2177lZVxQgI7Ot6cdKxcwdXU1KSmplrT2vfs2bPt30zASp29ewczl5eXx8fHiyMGX1/f559/XhwREtGsWbOKioo6Wf/CBdMUvm4d9+/POh0zc1QUp6W1N/Fbr6zMNH/37ctPPcXR0czMWVm8aBE7OLBGw9HRfPup2bKW7d0GDhwouiJaPHC33smTPGuWaVoNDeW//pXF6ikri1esME0WWi0nJnKL4/YOKCriyEhT/Ycf5qwsNn8zt2MHv/qqab5wduYFC9iG41txXyPx+gwbNqzV2q9DNxOwSIG4C+YFmZ+fHxGFhIR8+umnShVn5u++4ytX+Pe/57lzubSUo6K4vp47/Y3iTfv28c6dHBfHCxfyli2clcWrV/Py5fztt8rUz87OHjRokPiljh492txdqEP9b9vxxRc8aBA/9xzPnMkzZ3JjI69axRs2sJsbT57MbR23d4z4JsDBgd95h318+MQJZuaoKB471jTpdGQJ3Wb9X6z9zpw5Y9vNBNqnWNyZ2Wg0rl+/fu/evf/617+U+mtRSyLuJ05wbCxHRSlenpk5Lo4vXuSpUzkzk634XqtjDAaDTqfz8PAQXylYeeBuvcZGrq7mOXN42zZOS+NVq3jnzk59LrXS0MA7dvCuXfzaa/zb37LRyFFRfOQIW3coblldXd0rr7zi4uJCRO7u7v43GmCFh4cfPnxYkSGUjLvaRNyZedEiDghQZYi4OK6s5C+/5LAw5eMu7N27l4gCAgKamprUqD9nDjNzdDSnpLB1bXE7ZtcuXr2a332XN21SZdIRaz9HR8egoKBO3kzgVvZ0p18nJxLLgYUL6ccfVRxo/HgKCVGruJeXFxF1795dq851Q0J6Oo0eTWPHqlX/+edpzhxT7wJl9evXb8OGDYsWLdJqtX5+fuI4Xin2FPfaWhKneLm6UnAwXb9Oit+Xe906OnSIzp6ltDS6cbytMLXPzZw6lYgoMJDefluVfpiuruThQY6OtHAhrVqlfH0hODhYjbL2dP53QwMVFpoeFxSQOmcN08qV9PjjtH+/KsVJ/XMD58+nhAQaMYJCQ+nhh5Wv7+ZG4lSSMWNo1Cjl66vKnuJOREeO0NKltHQpnTyp1hBqdlsR9VW/0OTECcrLIxXOFyYi+vFHKioyPd61S5Uh1GNPixkiGjiQnnySiGjPHrWGULshzR2Iu9od0w4dIrGibmxUawiV2Fnc77+fxOkSLi5qDdEF4q72U/DwoF691B1CJfYU9+7dacIE0+MZM9SavdTOisZPE/FJRKBLoFoDqP8UQkJo4kQiouXL1RpCJfYU9x49KCbG9DghQa1R1F4JNPVo2vfgPnZntQZQOe5+fje/f7S7Q1V7ivudofpiho1E5KCx17X7jZuiEhG99poqQ6jH3hZf6lM97mQkIgc1X3m0f70dvCStqZ2VZm4mIkeNii1AEPfbwUvSGmb3LgwvSWtqH6oi7ncRDlVbGziQysrI1VWt+ndgMYMb89yOhlnFb8Tsznvv0YwZFBBA+/aRvz/duN5ASRXXK76p+8bb0TvcPXxb1bY5nnMUH+Kjj+jqVYqJIYVuxd514APvF7Zto4ULiYgOHqRz51QZ4rULr22v2r7x8sb1lev/Xflvxev37099+1JCAv3977hrcmtYzFBNDS1dSoGBFB9Pbm40fDht3arWWPn1+Y3cuDZgrfjn9qrtSlW+dImcncnDgx5+mJYvpzFjlCrcpUg9uzc30/vvU1AQLV1KixZRQwMRUVISrVlD9fWqjHiy8eQQlyHK1jQY6N13KSiIliwhInJ2poQEeustZQfpIuSN+5df0ogR9MwzdPEijRxJW7eaTjvTaiklhfR6VQb11fqebjqtYMEtWygkhP70J6qqopMnSRyIzZ5NBQVqLcbsmpSLmeJiQ8rf4/+76dQ57QMPUHo6Pf44EVFmpunyn/HjKS6OvLyUHzncPXxF+YoV5Su8Hb17OvXsTKnqglMzkwK/+oqIKDSU3n6bpk27eclLeroq13bYPaUuerUPlZWclMRaLRNti1jxxhssuhgdPmxqIDF3ruq7cN14/XDd4dya3GvGa4UNhbaUuNHH6IWh+3r0uNnGKDubhwwx9eFh5v37ubZWsd3uGqSJe1MT6/XcqxeLNnCxsaLN3OnT/MQTpp54Pj68du3d3s/21dXx4sXmPkYVS1aJNkbHj/P06abOR489drd38h4mTdy//dYU6kmTWPRHr66+8Pr7ou2eiwu//DLX1NztnWxfbi7362cK9dy5onlaRXnzc8+ZeuJ5evKbb3agp7GEunrca2p4927OyWGDgRcu5KwsZubmZs7IYB8fJpo39qfo6Nv2Q723lJaymxuHhbFoBdrUxDpdU1Bob7da8XFlU8N6uXTpuFdX89SpvHkzr13Lc+aw6IWek8PDhpnmyDFjrh9UqCmeev75T46P5/h4LijgggLTs9iyhQcMEM/im/kbjh+/2ztpJ7p03N9/nzMyTI9TUnj/ft640RT0gADOzGRF73Okiu3b+aWXmJmrqnj8eG5o4Px8joi42QG1EzcOklCX/t69vJx8fEyP/fzo55/pscfooYcoNZUKC+mJJ0idO0Qrac8eU+uF7t0pLIwKC6mggPbtox49SKejggL65Z2PoH1d+nv3wYMpP5/E/ffy8mjKFHJ1pWPH7Olcwfvuo6Ym0+OmJnJ2pqefpsuXKT4e53/ZoEufEWk00vz55OhI9fUUFGQ6+cu+fP01rVlDa9ZQaSk9+yzt3m1P79V7T5eOu9DYSI6OyreTvGOys2nbNvLwoKQk6tv3bu+NfZMg7gA3dOlDVYBfQtxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEvl/1gjRFppu27gAAAAASUVORK5CYII=)
Find more compounds similar to Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydrothiopyran-4-yl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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