4,7-Benzothiazoledione, 6-[(3,4-dichlorophenyl)amino]-2,5-dimethyl-
Basic information
- CAS
650635-86-2- Standard SMILES
CC1=C(Nc2ccc(Cl)c(Cl)c2)C(=O)c2sc(C)nc2C1=O- InChIKey
RBHLZVPYBHLLJW-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2N2O2S
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 351.9840041
Names & identifiers
- Preferred name
- 4,7-Benzothiazoledione, 6-[(3,4-dichlorophenyl)amino]-2,5-dimethyl-
- IUPAC
- 6-(3,4-dichloroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Names & synonyms
650635-86-26-(3,4-dichloroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione4,7-Benzothiazoledione, 6-[(3,4-dichlorophenyl)amino]-2,5-dimethyl-DTXSID603335486-[N-(3,4-Dichlorophenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole
Database identifiers
- CAS
650635-86-2- PubChem CID
- 511637
- DTXSID
DTXSID60333548
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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