Basic information
- CAS
32188-94-6- Standard SMILES
O=C(CSC1=NCCN1)c1ccccc1- InChIKey
QRDCPJGNSRARCL-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- ST51010489
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone
Names & synonyms
32188-94-6ST51010489DTXSID10275585RefChem:381794DTXCID802270162-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanoneNSC-1603192-phenacylmercaptoimidazolineNCIStruc1_001397NCIStruc2_0019452-(2-imidazolin-2-ylthio)-1-phenylethan-1-oneCHEMBL1451526
Show more names
SCHEMBL11884885CCG-36672NCGC00014440NCI160319AKOS024372699NCGC00014440-02NCGC00097545-01NCI60_001191
Database identifiers
- CAS
32188-94-6- PubChem CID
- 52896
- DTXSID
DTXSID10275585- ChEMBL
CHEMBL1451526
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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