Cas no 3778-85-6 (2-Chlorobenzyl imidothiocarbamate hydrochloride)

2-Chlorobenzyl imidothiocarbamate hydrochloride structure
3778-85-6 structure
Product Name:2-Chlorobenzyl imidothiocarbamate hydrochloride
CAS No:3778-85-6
MF:C8H10Cl2N2S
MW:237.149398326874
MDL:MFCD00035046
CID:313207
PubChem ID:199161
Update Time:2025-04-19

2-Chlorobenzyl imidothiocarbamate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Carbamimidothioic acid,(2-chlorophenyl)methyl ester, hydrochloride (1:1)
    • (2-chlorophenyl)methyl carbamimidothioate,hydrochloride
    • 2-(2-Chlorobenzyl)-2-thiopseudourea hydrochloride
    • 2-chlorobenzyl imidothiocarbamate
    • 2-chlorobenzylisothiourea hydrochloride
    • 2-chlorophenylmethyl carbamimidothioate hydrochloride
    • AC1L56TG
    • amp
    • CHEMBL1224310
    • Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochloride
    • S-(2-chlorobenzyl)isothiouronium chloride
    • T6399946
    • WLN: MUYZS1R BG &amp
    • SMR000225839
    • (Amino((2-chlorobenzyl)thio)methylidene)ammonium chloride
    • PD188238
    • {AMINO[(2-CHLOROBENZYL)THIO!METHYLIDENE}AMMONIUMCHLORIDE,97
    • 3778-85-6
    • NSC 60041
    • S-(2-Chlorobenzyl)Isothiourea HCl
    • (2-chlorophenyl)methyl carbamimidothioate;hydrochloride
    • MFCD00035046
    • 9X9QY6D7C5
    • {[(2-chlorophenyl)methyl]sulfanyl}methanimidamide hydrochloride
    • 2-Chlorobenzyl carbamimidothioate hydrochloride
    • CS-0451846
    • 2-chlorobenzyl imidothiocarbamate hydrochloride
    • A910999
    • Z48820396
    • AKOS027444747
    • Carbamimidothioic acid, (2-chlorophenyl)methyl ester, hydrochloride (1:1)
    • Carbamimidothioic acid, (2-chlorophenyl)methyl ester, monohydrochloride
    • NSC-60041
    • carbamimidothioic acid, (2-chlorophenyl)methyl ester, hydrochloride
    • WLN: MUYZS1R BG &GH
    • Pseudourea, 2-(o-chlorobenzyl)-2-thio-, hydrochloride
    • {AMINO[(2-CHLOROBENZYL)THIO!METHYLIDENE}AMMONIUMCHLORIDE
    • MLS000698043
    • NSC60041
    • 14122-38-4
    • DTXSID00191225
    • FT-0720926
    • 2-Chlorobenzyl imidothiocarbamate hydrochloride
    • MDL: MFCD00035046
    • Inchi: 1S/C8H9ClN2S.ClH/c9-7-4-2-1-3-6(7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
    • InChI Key: CEICVYXCGHTEIT-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1CSC(=N)N.Cl

Computed Properties

  • Exact Mass: 200.01767
  • Monoisotopic Mass: 235.994174
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 163
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 315.9±44.0 °C at 760 mmHg
  • Flash Point: 144.9±28.4 °C
  • Refractive Index: 1.625
  • PSA: 49.87
  • LogP: 4.06870
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-Chlorobenzyl imidothiocarbamate hydrochloride Security Information

2-Chlorobenzyl imidothiocarbamate hydrochloride Pricemore >>

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