chempirical

2,5-Dimercapto-1,3,4-thiadiazole

C2H2N2S3CAS 1072-71-5150.23 g/mol

Open in Covalent MOL file
HSNNSHS
Thiol

Properties

Molecular formula
C2H2N2S3
Molar mass
150.23 g/mol
Exact mass
149.9380 Da
Melting point
170 °C
logP
1.12Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
1072-71-5
SMILES
Sc1nnc(S)s1
InChIKey
BIGYLAKFCGVRAN-UHFFFAOYSA-N
InChI
InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,3,4-Thiadiazolidine-2,5-dithione
  • δ2-1,3,4-Thiadiazoline-5-thione, 2-mercapto-
  • 2,5-Dimercaptothiadiazole
  • Bismuthiol I
  • PY 61H
  • Dimercaptothiadiazole
  • Vanchem DMTD
  • 1,3,4-Thiadiazole-2,5-dithiol
  • D 2
  • D 2 (Chinese flotation agent)
  • Bismuthiol
  • MTD
  • NSC 4645
  • 2,5-Dithiol-1,3,4-thiadiazole
  • 2,5-Dimercapto-1,3,4-thiazole
  • 2,5-Mercapto-1,3,4-thiadiazole

Work with 2,5-Dimercapto-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-Mercapto-5-methyl-1,3,4-thiadiazole29490-19-567 % similar 5-Methylthio-1,3,4-thiadiazole-2-thiol6264-40-050 % similar 2-Acetylamino-5-mercapto-1,3,4-thiadiazole32873-56-641 % similar 1,3,4-Thiadiazole-2-thiol18686-82-338 % similar 2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid53723-88-935 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-933 % similar 2-Mercaptothiazole5685-05-232 % similar 2-Thiazolethiol82358-09-632 % similar

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

Same formula

Amino-3H-1,2,4-dithiazole-3-thione6846-35-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook