chempirical

1,3-Dihydro-1-phenyl-2H-imidazole-2-thione

C9H8N2SCAS 17452-09-4176.24 g/mol

Open in Covalent MOL file
SHNN
Thiol

Properties

Molecular formula
C9H8N2S
Molar mass
176.24 g/mol
Exact mass
176.0408 Da
Melting point
180–181 °C
logP
2.16Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
17452-09-4
SMILES
Sc1nccn1-c1ccccc1
InChIKey
VXEUGLRMYAXWKM-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)

Weigh it out

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

Names and synonyms

12 names
  • 2H-Imidazole-2-thione, 1,3-dihydro-1-phenyl-
  • Imidazole-2-thiol, 1-phenyl-
  • 4-Imidazoline-2-thione, 1-phenyl-
  • 1-Phenyl-2-mercaptoimidazole
  • 2-Mercapto-1-phenylimidazole
  • 1-Phenyl-2,3-dihydroimidazole-2-thione
  • NSC 513730
  • 1-Phenyl-1H-imidazole-2-thiol
  • 1-Phenyl-1H-imidazole-2(3H)-thione
  • 1-Phenyl-2,3-dihydro-1H-imidazole-2-thione
  • 1-Phenyl-1,3-dihydro-imidazole-2-thione
  • 3-Phenyl-1H-imidazole-2-thione

Work with 1,3-Dihydro-1-phenyl-2H-imidazole-2-thione

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

1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione25372-17-251 % similar Methimazole60-56-042 % similar 1-Phenyl-5-mercaptotetrazole86-93-141 % similar 1-Phenylpyrazole1126-00-738 % similar 2-Mercaptopyridine2637-34-537 % similar 2-Mercaptopyridine73018-10-737 % similar 1-Phenylpyrrole635-90-534 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-734 % similar

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

Same formula

2-Amino-4-phenylthiazole2010-06-2

Elsewhere

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