4-Benzylthiosemicarbazide

C₈H₁₁N₃SCAS 13431-41-9181.26 g/mol

Open in Covalent MOL file

Primary amine Thiol

Properties

Molecular formula: C₈H₁₁N₃S
Molar mass: 181.26 g/mol
Exact mass: 181.0674 Da
Melting point: 130 °C
logP: 0.94Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Identifiers

CAS number

13431-41-9

SMILES

NNC(S)=NCc1ccccc1

InChIKey

ZTRUHAVBRPABTK-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3S/c9-11-8(12)10-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Hydrazinecarbothioamide, N-(phenylmethyl)-
Semicarbazide, 4-benzyl-3-thio-
N-(Phenylmethyl)hydrazinecarbothioamide
B 1308
4-Benzyl-3-thiosemicarbazide
NSC 263514
4-Benzylhydrazinethiocarbamide
N-Benzylthiosemicarbazide
1-Amino-3-benzylthiourea
3-Amino-1-benzylthiourea

Work with 4-Benzylthiosemicarbazide

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

Similar compounds

4-Phenylthiosemicarbazide5351-69-955 % similar 1-Benzyl-3-methyl-2-thiourea2740-94-542 % similar N-Benzylbenzamide1485-70-742 % similar 4-Allylthiosemicarbazide3766-55-042 % similar N-Benzylacetamide588-46-542 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-041 % similar N-Butylhydrazinecarbothioamide6610-31-741 % similar N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-140 % similar

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

Same formula

3-Amino-1-(4-methylphenyl)thiourea13278-67-6 N-(2-Methylphenyl)hydrazinecarbothioamide614-10-8

Elsewhere

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