2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-
Basic information
- CAS
54028-79-4- Standard SMILES
CC1CNc2ccccc2NC1=S- InChIKey
BZYVXWWSDHIHCY-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-
- IUPAC
- 3-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione
Names & synonyms
54028-79-42H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-Oprea1_037612SCHEMBL11658394DTXSID104026973-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
Database identifiers
- CAS
54028-79-4- PubChem CID
- 4384533
- DTXSID
DTXSID10402697
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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