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Substance Name: S-Benzylthiuronium chloride
RN: 538-28-3
UNII: QJ9N8049ND
InChIKey: WJAASTDRAAMYNK-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-N2-S.Cl-H

Molecular Weight

  • 202.708
 
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Names and Synonyms

Name of Substance

  • S-Benzylthiuronium chloride

Synonyms

  • 2-Benzylisothiouronium chloride
  • A-287
  • AI3-17804
  • Benzyl thiopseudourea hydrochloride
  • Benzylisothiourea hydrochloride
  • Benzylisothiouronium chloride
  • Benzylisothiuronium chloride
  • Benzylthiuronium chloride
  • BTKH
  • EINECS 208-688-6
  • Isothiouronium chloride, benzyl-
  • NSC 179799
  • Pseudourea, 2-benzyl-2-thio-, hydrochloride
  • Pseudourea, 2-thio-2-benzyl-, hydrochloride
  • S-Benzylisothiourea hydrochloride
  • S-Benzylthioformamidine hydrochloride
  • S-Benzylthiopseudourea hydrochloride
  • S-Benzylthiouronium chloride
  • S-Benzylthiuronium chloride
  • TL 944
  • UNII-QJ9N8049ND
  • USAF EK-2124
  • X 182

Systematic Names

  • Carbamidothioic acid, phenylmethyl ester, monohydrochloride
  • Carbamimidothioic acid, phenylmethyl ester, hydrochloride (1:1)
  • Carbamimidothioic acid, phenylmethyl ester, monohydrochloride
  • Pseudourea, 2-benzyl-2-thio-, monohydrochloride
  • S-Benzylthiouronium chloride

Registry Numbers

CAS Registry Number

  • 538-28-3

FDA UNII

  • QJ9N8049ND

Other Registry Number

  • 860511-29-1

System Generated Number

  • 0000538283

Molecular Formulas

Molecular Formula

  • C8-H10-N2-S.Cl-H

Molecular Formula Fragments

  • C8-H10-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H

InChIKey

WJAASTDRAAMYNK-UHFFFAOYSA-N

Smiles

c1(CSC(N)=N)ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00167,
mouse LD50 oral 170mg/kg (170mg/kg)   U.S.S.R. Patent Document. Vol. #0822829,
mouse LDLo subcutaneous 80mg/kg (80mg/kg)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. No.9-4-1-9, Pg. 1943,
rat LD50 oral 27mg/kg (27mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(2), Pg. 52, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173 deg C   EXP
log P (octanol-water) -4.760 (none)   EST
Atmospheric OH Rate Constant 3.48E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.