2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Basic information
- CAS
650635-81-7- Standard SMILES
CC1=C(Nc2ccc(C)cc2)C(=O)c2sc(C)nc2C1=O- InChIKey
SBWVXENYQXMRHO-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
- IUPAC
- 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Names & synonyms
2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione650635-81-7DTXSID60333543RefChem:247604DTXCID702846336-[N-(4-Methylphenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole
Database identifiers
- CAS
650635-81-7- PubChem CID
- 511632
- DTXSID
DTXSID60333543
Properties
Computed structural properties
- XLogP
- 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
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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