chempirical

2-Mercapto-4-phenylthiazole

C9H7NS2CAS 2103-88-0193.28 g/mol

Open in Covalent MOL file
HSNS
Thiol

Properties

Molecular formula
C9H7NS2
Molar mass
193.28 g/mol
Exact mass
193.0020 Da
Melting point
168 °C
logP
3.10Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2103-88-0
SMILES
Sc1nc(-c2ccccc2)cs1
InChIKey
CYCKHTAVNBPQDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)

Weigh it out

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

Names and synonyms

10 names
  • 2(3H)-Thiazolethione, 4-phenyl-
  • 4-Thiazoline-2-thione, 4-phenyl-
  • 2-Thiazolethiol, 4-phenyl-
  • 4-Phenyl-2(3H)-thiazolethione
  • 4-Phenyl-δ4-thiazoline-2-thione
  • 4-Phenyl-2-mercaptothiazole
  • 4-Phenylthiazole-2-thiol
  • 4-Phenyl-4-thiazoline-2-thione
  • 4-Phenyl-1,3-thiazole-2-thiol
  • NSC 678

Work with 2-Mercapto-4-phenylthiazole

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

4-(4-Pyridinyl)-2(3H)-thiazolethione77168-63-969 % similar 4-Methyl-2(3H)-thiazolethione4498-39-943 % similar 2,6-Diphenylpyridine3558-69-843 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-641 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-838 % similar 6-Phenyl-2-thiouracil36822-11-438 % similar 2-Bromo-4,6-diphenylpyrimidine56181-49-836 % similar 4,5-Diphenyl-2-imidazolethiol2349-58-836 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook