4-Methyl-3-thiosemicarbazide

C₂H₇N₃SCAS 6610-29-3105.16 g/mol

Open in Covalent MOL file

Primary amine Thiol

Properties

Molecular formula: C₂H₇N₃S
Molar mass: 105.16 g/mol
Exact mass: 105.0361 Da
Melting point: 137–138 °C
logP: -0.63Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Identifiers

CAS number

6610-29-3

SMILES

CN=C(S)NN

InChIKey

PTVZQOAHCSKAAS-UHFFFAOYSA-N

InChI

InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)

Weigh it out

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

Names and synonyms

12 names

Semicarbazide, 4-methyl-3-thio-
N-Methylhydrazinecarbothioamide
Hydrazinecarbothioamide, N-methyl-
B 1130
4-Methylthiosemicarbazide
Methylthiosemicarbazide
N-Methylthiosemicarbazide
NSC 56911
4-N-Methylthiosemicarbazide
4-Methylthiosemicarbazone
1-Amino-3-methylthiourea
3-Amino-1-methylthiourea

Work with 4-Methyl-3-thiosemicarbazide

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

Thiocarbohydrazide2231-57-452 % similar N,N′-Dimethylthiourea534-13-452 % similar 4-Isopropylthiosemicarbazide13431-36-250 % similar N-Butylhydrazinecarbothioamide6610-31-743 % similar N-Methyl-N′-phenylthiourea2724-69-840 % similar 4-Allylthiosemicarbazide3766-55-040 % similar 4-Phenylthiosemicarbazide5351-69-940 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-039 % similar

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

Same formula

1-Methylhydrazinecarbothioamide6938-68-7

Elsewhere

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