4,7-Benzothiazoledione, 6-[(3-bromophenyl)amino]-2,5-dimethyl-
Basic information
- CAS
650635-89-5- Standard SMILES
CC1=C(Nc2cccc(Br)c2)C(=O)c2sc(C)nc2C1=O- InChIKey
HKYAHYDPNNJQJB-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O2S
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 361.97246
Names & identifiers
- Preferred name
- 4,7-Benzothiazoledione, 6-[(3-bromophenyl)amino]-2,5-dimethyl-
- IUPAC
- 6-(3-bromoanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Names & synonyms
650635-89-56-(3-bromoanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione4,7-Benzothiazoledione, 6-[(3-bromophenyl)amino]-2,5-dimethyl-DTXSID903335516-[N-(3-Bromophenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole
Database identifiers
- CAS
650635-89-5- PubChem CID
- 511640
- DTXSID
DTXSID90333551
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 508
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Compound notes
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