Thiosemicarbazide hydrochloride

CH6ClN3SCAS 4346-94-5127.59 g/mol

Open in Covalent MOL file
HClNHHSNHNH2
Primary amineThiol

Properties

Molecular formula
CH6ClN3S
Molar mass
127.59 g/mol
Exact mass
126.9971 Da
Melting point
190–191 °C (decomposes)
logP
-0.26Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4346-94-5
SMILES
Cl.N=C(S)NN
InChIKey
LEHOGBUBQSGCOK-UHFFFAOYSA-N
InChI
InChI=1S/CH5N3S.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H

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Names and synonyms

3 names
  • Hydrazinecarbothioamide, monohydrochloride
  • Semicarbazide, thio-, monohydrochloride
  • Thiosemicarbazide monohydrochloride

Work with Thiosemicarbazide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiosemicarbazide79-19-6Free base

Similar compounds

1,3-Diaminoguanidine monohydrochloride36062-19-850 % similar Diaminoguanidine hydrochloride38360-74-650 % similar Aminoguanidinium chloride16139-18-746 % similar Aminoguanidinium chloride1937-19-546 % similar Aminourea hydrochloride563-41-744 % similar Methylthiourea598-52-743 % similar Dithiourea142-46-143 % similar Dithiobiuret541-53-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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