2-Mercapto-5-methyl-1,3,4-thiadiazole

C₃H₄N₂S₂CAS 29490-19-5132.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄N₂S₂
Molar mass: 132.20 g/mol
Exact mass: 131.9816 Da
Melting point: 173–176 °C (decomposes)
logP: 1.14Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Identifiers

CAS number

29490-19-5

SMILES

Cc1nnc(S)s1

InChIKey

FPVUWZFFEGYCGB-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

Weigh it out

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

Names and synonyms

18 names · show all

1,3,4-Thiadiazole-2(3H)-thione, 5-methyl-
δ2-1,3,4-Thiadiazoline-5-thione, 2-methyl-
5-Methyl-1,3,4-thiadiazole-2(3H)-thione
5-Methyl-1,3,4-thiadiazole-2-thiol
5-Mercapto-2-methyl-1,3,4-thiadiazole
5-Methyl-1,3,4-thiadiazolyl-2-thiol
2-Methyl-1,3,4-thiadiazole-5-thiol
5-Methyl-1,3,4-thiadiazol-2-thiol
5-Methyl-2-mercapto-1,3,4-thiadiazole
2-Methyl-5-mercapto-1,3,4-thiadiazole
2-Methyl-1,3,4-thiadiazol-5-thiol
2-Methyl-1,3,4-thiadiazoline-5-thione
5-Methyl-1,3,4-thiazole-2-thione
5-Methyl-2-sulfanyl-1,3,4-thiadiazole
5-Methyl-1,3,4-thiadiazole-2-thione
5-Methyl-3H-1,3,4-thiadiazole-2-thione
5-Methyl-1,3,4-thiadiazole-5-thiol
2-Methyl-5-mercaptothiadiazole

Work with 2-Mercapto-5-methyl-1,3,4-thiadiazole

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

2,5-Dimercapto-1,3,4-thiadiazole1072-71-567 % similar 2,5-Dimethyl-1,3,4-thiadiazole27464-82-058 % similar 5-Methylthio-1,3,4-thiadiazole-2-thiol6264-40-044 % similar 2-Acetylamino-5-mercapto-1,3,4-thiadiazole32873-56-638 % similar 4-Methyl-2(3H)-thiazolethione4498-39-932 % similar

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

Elsewhere

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