Benzylisothiourea hydrochloride

C8H11ClN2SCAS 538-28-3202.70 g/mol

HClHNH2NS
Sulfide

Properties

Molecular formula
C8H11ClN2S
Molar mass
202.70 g/mol
Exact mass
202.0331 Da
Melting point
173 °C
logP
2.24Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
538-28-3
SMILES
Cl.N=C(N)SCc1ccccc1
InChIKey
WJAASTDRAAMYNK-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H

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Names and synonyms

22 names · show all
  • Carbamimidothioic acid, phenylmethyl ester, hydrochloride (1:1)
  • Pseudourea, 2-benzyl-2-thio-, monohydrochloride
  • Carbamimidothioic acid, phenylmethyl ester, monohydrochloride
  • Pseudourea, 2-benzyl-2-thio-, hydrochloride
  • Benzylisothiuronium chloride
  • S-Benzylthiuronium chloride
  • BTKh
  • Benzylisothiouronium chloride
  • S-Benzylthiouronium chloride
  • S-Benzylisothiuronium chloride
  • S-Benzylisothiourea hydrochloride
  • S-Benzylthiopseudourea hydrochloride
  • S-Benzylthioformamidine hydrochloride
  • S-Benzylthiourea hydrochloride
  • S-Benzylisothiouronium hydrochloride
  • S-Benzylisothiouronium chloride
  • U 19451A
  • 2-Benzyl-2-thiopseudourea hydrochloride
  • Benzituron
  • Benzyl carbamimidothioate hydrochloride
  • (Benzylsulfanyl)methanimidamide hydrochloride
  • (Benzylsulfanyl)(imino)methanaminium chloride

Work with Benzylisothiourea hydrochloride

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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