2-(4-Bromophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
Basic information
- CAS
60725-98-6- Standard SMILES
O=C1C2CCCCN2C(=S)N1c1ccc(Br)cc1- InChIKey
ZOJHDYKCZFFQAO-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2OS
- Average molar mass
- 325.23 g/mol
- Monoisotopic mass
- 323.9932
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
- IUPAC
- 2-(4-bromophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Names & synonyms
60725-98-62-(4-bromophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-oneSCHEMBL11557413DTXSID40976194Imidazo(1,5-a)pyridin-1(5H)-one, 2-(4-bromophenyl)hexahydro-3-thioxo-2-(4-Bromophenyl)-3-sulfanylidenehexahydroimidazo[1,5-a]pyridin-1(5H)-one
Database identifiers
- CAS
60725-98-6- PubChem CID
- 187993
- DTXSID
DTXSID40976194- Nikkaji
- J478.226G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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