Basic information
- CAS
60726-01-4- Standard SMILES
O=C1C2CCCCN2C(=S)N1c1ccc(Cl)c(Cl)c1- InChIKey
BXCUDZLQQDOGKO-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2OS
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.0047396
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
- IUPAC
- 2-(3,4-dichlorophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Names & synonyms
60726-01-42-(3,4-dichlorophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-oneDTXSID20976197Imidazo(1,5-a)pyridin-1(5H)-one, 2-(3,4-dichlorophenyl)hexahydro-3-thioxo-2-(3,4-Dichlorophenyl)-3-sulfanylidenehexahydroimidazo[1,5-a]pyridin-1(5H)-one
Database identifiers
- CAS
60726-01-4- PubChem CID
- 187995
- DTXSID
DTXSID20976197
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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