2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Basic information
- CAS
29476-14-0- Standard SMILES
S=C1CC(c2ccccc2)Sc2ccccc2N1- InChIKey
FQEWVXXAJZVQAC-UHFFFAOYSA-N- Molecular formula
- C15H13NS2
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.04894177
Overview
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione is a benzothiazepine.
Names & identifiers
- Preferred name
- 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
- IUPAC
- 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Names & synonyms
29476-14-02-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thioneNSC6674632-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione1,5-Benzothiazepine-4(5H)-thione, 2,3-dihydro-2-phenyl-FQEWVXXAJZVQAC-UHFFFAOYSA-NMaybridge4_003408Oprea1_024123CHEMBL1999772CHEBI:93845FQEWVXXAJZVQAC-UHFFFAOYSA-DTXSID60369529
Show more names
HMS1530K20CCG-248017NSC-667463NCGC00175876-01NCI60_023454AJ-091/33281045BRD-A32241587-001-01-8Q27165585
Database identifiers
- CAS
29476-14-0- PubChem CID
- 2728652
- DTXSID
DTXSID60369529- ChEMBL
CHEMBL1999772- ChEBI
CHEBI:93845- Nikkaji
- J516.260B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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