Basic information
- CAS
67723-92-6- Standard SMILES
CSc1nc(-c2nc3ccccc3s2)cs1- InChIKey
XTMTXWFJMUTXLM-UHFFFAOYSA-N- Molecular formula
- C11H8N2S3
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 263.98496178
Names & identifiers
- Preferred name
- Benzothiazole, 2-(2-(methylthio)-4-thiazolyl)-
- IUPAC
- 2-(2-methylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
Names & synonyms
BRN 0797628Benzothiazole, 2-(2-(methylthio)-4-thiazolyl)-2-(2-(Methylthio)-4-thiazolyl)benzothiazole67723-92-62-(2'-Methylmercapto-4'-thiazolyl)benzothiazoleDTXSID00217994RefChem:328181DTXCID501404852-[2-(METHYLSULFANYL)-1,3-THIAZOL-4-YL]-1,3-BENZOTHIAZOLE
Database identifiers
- CAS
67723-92-6- PubChem CID
- 3051697
- DTXSID
DTXSID00217994
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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