chempirical

2-Mercaptothiazole

C3H3NS2CAS 82358-09-6117.18 g/mol

Open in Covalent MOL file
HSNS
Thiol

Properties

Molecular formula
C3H3NS2
Molar mass
117.18 g/mol
Exact mass
116.9707 Da
logP
1.43Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82358-09-6
SMILES
Sc1nccs1
InChIKey
OCVLSHAVSIYKLI-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)

Weigh it out

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

Names and synonyms

1 names
  • 2-Thiazolethiol

Work with 2-Mercaptothiazole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Mercaptothiazole5685-05-2

Similar compounds

2-Chlorothiazole3034-52-443 % similar 2-Methylthiazole3581-87-143 % similar 1,3,4-Thiadiazole-2-thiol18686-82-342 % similar 2-Bromothiazole3034-53-542 % similar 1,3-Thiazole-2-carbaldehyde10200-59-637 % similar 1,3-Thiazole-2-carbonitrile1452-16-037 % similar 1,3-Thiazol-2-ylmethanol14542-12-237 % similar 2-Methoxythiazole14542-13-337 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook