Basic information
- CAS
67723-94-8- Standard SMILES
CCCSc1nc(-c2nc3ccccc3s2)cs1- InChIKey
ZVRDNVKQOQTGOG-UHFFFAOYSA-N- Molecular formula
- C13H12N2S3
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.01626191
Names & identifiers
- Preferred name
- Benzothiazole, 2-(2-(propylthio)-4-thiazolyl)-
- IUPAC
- 2-(2-propylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
Names & synonyms
BRN 0804885Benzothiazole, 2-(2-(propylthio)-4-thiazolyl)-2-(2-(Propylthio)-4-thiazolyl)benzothiazole67723-94-8DTXSID20217996RefChem:328182DTXCID701404872-[2-(Propylsulfanyl)-1,3-thiazol-4-yl]-1,3-benzothiazole
Database identifiers
- CAS
67723-94-8- PubChem CID
- 3051699
- DTXSID
DTXSID20217996
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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