Chemical Properties of Alpha-mercaptoacetanilide carbamate (CAS 5428-95-5)

Alpha-mercaptoacetanilide carbamate

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InChI
InChI=1S/C9H10N2O2S/c10-9(13)14-6-8(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)
InChI Key
CEINNGQDMFZTJK-UHFFFAOYSA-N
Formula
C9H10N2O2S
SMILES
NC(=O)SCC(=O)Nc1ccccc1
Molecular Weight1
210.25
CAS
5428-95-5
Other Names
  • Acetamide, N-phenyl-2-(carbamoylthio)-
  • Acetanilide, 2-(thiocarbamyl)-
  • Carbamic acid, thio-, S-ester with 2-mercaptoacetanilide
  • Carbaminothioglycolic acid anilide
  • NSC 13336
  • USAF uctl-1766
  • alpha-Mercaptoacetanilide carbamate
  • «alpha»-(Thiocarbamyl) acetanilide
Sources

Physical Properties

Property Value Unit Source
Δf 68.43 kJ/mol Joback Calculated Property
Δfgas -88.59 kJ/mol Joback Calculated Property
Δfus 30.73 kJ/mol Joback Calculated Property
Δvap 75.29 kJ/mol Joback Calculated Property
logPoct/wat 1.44 Crippen Calculated Property
Pc 4227.54 kPa Joback Calculated Property
Tboil 731.22 K Joback Calculated Property
Tc 980.54 K Joback Calculated Property
Tfus 487.79 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 391.18 J/mol×K 731.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 5
-CH2- 1
-NH2 1
=C< (ring) 1
-S- 1
>NH 1
>C=O (nonring) 2

Similar Compounds

Alpha-mercaptoacetanilide. Acetamide, N-phenyl-. Methane sulfonic acid, phenylcarbamoyl-, aniline salt. Acetamide, N-(4-aminophenyl)-. Propanamide, N-phenyl-. Acetaminophen. Acetamide, N-(4-chlorophenyl)-. Isobutyranilide. 4-Iodoacetanilide. Butanamide, N-phenyl-. 2-Hydroxyacetanilide. Acetamide, N-methyl-N-phenyl-. Isonitrosoacetanilide. 2-Butenamide,N-phenyl-. Sodium sulfoacetanilide.

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