Chemical Properties of Zotepine-M (nor-/bis-nor-) HYAC

Zotepine-M (nor-/bis-nor-) HYAC

InChI
InChI=1S/C16H11ClO3S/c1-9(18)20-12-3-5-15-10(6-12)7-14(19)13-8-11(17)2-4-16(13)21-15/h2-6,8H,7H2,1H3
InChI Key
QTSRSLWUVSULNG-UHFFFAOYSA-N
Formula
C16H11ClO3S
SMILES
CC(=O)Oc1ccc2c(c1)CC(=O)c1cc(Cl)ccc1S2
Molecular Weight1
318.77
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Physical Properties

Property Value Unit Source
ΔfusH° 32.52 kJ/mol Joback Calculated Property
IE 7.72 eV Relay (1.0) Calculated Property
logPoct/wat 4.155 Crippen Calculated Property
McVol 215.520 ml/mol McGowan Calculated Property
Inp [2440.00; 2440.00]   Show Hide
Inp 2440.00 NIST
Inp 2440.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [275.54; 610.49] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.81000e+01
Coefficient B1.10353e+00
Coefficient C-6.16940e-04
Coefficient D1.05800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 275.54 J/mol×K 273.00 Calculated Property
Cp,gas 335.97 J/mol×K 353.78 Calculated Property
Cp,gas 389.83 J/mol×K 434.56 Calculated Property
Cp,gas 437.43 J/mol×K 515.33 Calculated Property
Cp,gas 479.11 J/mol×K 596.11 Calculated Property
Cp,gas 515.21 J/mol×K 676.89 Calculated Property
Cp,gas 546.07 J/mol×K 757.67 Calculated Property
Cp,gas 572.01 J/mol×K 838.44 Calculated Property
Cp,gas 593.37 J/mol×K 919.22 Calculated Property
Cp,gas 610.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Poligodial + Phe (methyl ester) adduct, (R). 2-(5-methyl-2-furyl)-3-hydroxy-piperidine. 2-(2-furyl)-3-hydroxypiperidine. Poligodial + Phe (methyl ester) adduct, (S). Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. Hydrocodone. N-Desmethylmirtazapine. DIHYDROMORPHINE.

Find more compounds similar to Zotepine-M (nor-/bis-nor-) HYAC.

Sources

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