Basic information
- CAS
67723-93-7- Standard SMILES
CCSc1nc(-c2nc3ccccc3s2)cs1- InChIKey
QKIQSOOKMVCTPF-UHFFFAOYSA-N- Molecular formula
- C12H10N2S3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.00061185
Names & identifiers
- Preferred name
- Benzothiazole, 2-(2-(ethylthio)-4-thiazolyl)-
- IUPAC
- 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
Names & synonyms
BRN 0802528Benzothiazole, 2-(2-(ethylthio)-4-thiazolyl)-2-(2-(Ethylthio)-4-thiazolyl)benzothiazole2-(2'-Ethylmercapto-4'-thiazolyl)benzothiazole67723-93-7DTXSID60217995RefChem:328180DTXCID101404862-[2-(Ethylsulfanyl)-1,3-thiazol-4-yl]-1,3-benzothiazole
Database identifiers
- CAS
67723-93-7- PubChem CID
- 3051698
- DTXSID
DTXSID60217995
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…