Chemical Properties of Carbosulfan

Carbosulfan

InChI
InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
InChI Key
JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Formula
C20H32N2O3S
SMILES
CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2
Molecular Weight1
380.55
Other Names
  • Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
  • 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl[(dibutylamino)thio]methyl carbamate
  • Advantage
  • FMC 35001
  • Marshal
  • OMS 3022
  • Posse
  • Sheriff
  • 2,3-dihydro-2,2-dimethyl-7-benzofuryl [(dibutylamino)thio]methylcarbamate
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Physical Properties

Property Value Unit Source
ΔfusH° 55.18 kJ/mol Joback Calculated Property
log10WS -5.04 Relay (1.0) Calculated Property
logPoct/wat 5.296 Crippen Calculated Property
McVol 307.660 ml/mol McGowan Calculated Property
Inp [2407.00; 2407.00]   Show Hide
Inp 2407.00 NIST
Inp 2407.00 NIST
Tfus 322.22 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [435.45; 1043.89] 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 A-7.98840e+01
Coefficient B2.33319e+00
Coefficient C-1.79062e-03
Coefficient D5.81200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 435.45 J/mol×K 273.00 Calculated Property
Cp,gas 547.17 J/mol×K 353.78 Calculated Property
Cp,gas 643.57 J/mol×K 434.56 Calculated Property
Cp,gas 726.50 J/mol×K 515.33 Calculated Property
Cp,gas 797.78 J/mol×K 596.11 Calculated Property
Cp,gas 859.25 J/mol×K 676.89 Calculated Property
Cp,gas 912.77 J/mol×K 757.67 Calculated Property
Cp,gas 960.15 J/mol×K 838.44 Calculated Property
Cp,gas 1003.24 J/mol×K 919.22 Calculated Property
Cp,gas 1043.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benfuracarb. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. risperidone. Moexipril desethyl 3Me (Moexprilate 3Me). Pumiline A. Noscapine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Hydrastine. cis-1,2-Tetralinediol, ferrocenylboronate. Moexipril Me. Mucronatinine. Gelsemine. ethyl eburnamenine-14-carboxylate.

Find more compounds similar to Carbosulfan.

Sources

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