chempirical

5-Methylthio-1,3,4-thiadiazole-2-thiol

C3H4N2S3CAS 6264-40-0164.26 g/mol

Open in Covalent MOL file
SNNSHS
SulfideThiol

Properties

Molecular formula
C3H4N2S3
Molar mass
164.26 g/mol
Exact mass
163.9537 Da
Melting point
134–136 °C
logP
1.55Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
6264-40-0
SMILES
CSc1nnc(S)s1
InChIKey
CFWGYKRJMYXYND-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2S3/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)

Weigh it out

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

Names and synonyms

11 names
  • 1,3,4-Thiadiazole-2(3H)-thione, 5-(methylthio)-
  • δ2-1,3,4-Thiadiazoline-5-thione, 2-(methylthio)-
  • 1,3,4-Thiadiazole-2-thiol, 5-(methylthio)-
  • 5-(Methylthio)-1,3,4-thiadiazole-2(3H)-thione
  • 2-Methylmercapto-1,3,4-thiadiazoline-5-thione
  • 5-Methylthio-1,3,4-thiadiazoline-2-thione
  • 2-Methylthio-5-mercapto-1,3,4-thiadiazole
  • 2-Mercapto-5-methylthio-1,3,4-thiadiazole
  • 5-(Methylthio)-1,3,4-thiadiazol-2-thiol
  • 5-Mercapto-2-methylthio-1,3,4-thiadiazole
  • 5-(Methylsulfanyl)-[1,3,4]thiadiazole-2-thiol

Work with 5-Methylthio-1,3,4-thiadiazole-2-thiol

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-thiadiazole1072-71-550 % similar 2-Mercapto-5-methyl-1,3,4-thiadiazole29490-19-544 % similar 2-Acetylamino-5-mercapto-1,3,4-thiadiazole32873-56-642 % similar 2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid53723-88-942 % similar 5-(Methylthio)-1,3,4-thiadiazol-2-amine5319-77-733 % similar 2-(Methylthio)benzothiazole615-22-531 % similar

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

Elsewhere

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