1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
Basic information
- CAS
64038-65-9- Standard SMILES
S=c1[nH]ccn1CCc1ccccc1- InChIKey
XBZXYFCIMSXPKA-UHFFFAOYSA-N- Molecular formula
- C11H12N2S
- Average molar mass
- 204.29 g/mol
- Monoisotopic mass
- 204.07211956
Names & identifiers
- Preferred name
- 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
- IUPAC
- 3-(2-phenylethyl)-1H-imidazole-2-thione
Names & synonyms
64038-65-9RefChem:10528441,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione1-(2-phenylethyl)-1H-imidazole-2-thiol1-(2-phenylethyl)imidazole-2-thiol1-Phenethyl-1,3-dihydro-2H-imidazole-2-thioneUSAF EL-60BRN 01560831-Phenylethyl-2-mercaptoimidazoleImidazole-2-thiol, 1-phenethyl-Imidazole, 2-mercapto-1-phenethyl-TimTec1_000841
Show more names
4-24-00-00063 (Beilstein Handbook Reference)MLS001195975CHEMBL1394760SCHEMBL10400588DTXSID00982079HMS1536G05HMS2855I031-(phenylethyl)-2-mercaptoimidazole
Database identifiers
- CAS
64038-65-9- PubChem CID
- 690639
- DTXSID
DTXSID00982079- ChEMBL
CHEMBL1394760- Nikkaji
- J86.876K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Solubility22.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…