Benzothiazole, 2-(heptylthio)-
Basic information
- CAS
15647-75-3- Standard SMILES
CCCCCCCSc1nc2ccccc2s1- InChIKey
YAPCOOZZOPRYLM-UHFFFAOYSA-N- Molecular formula
- C14H19NS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.09589196
Names & identifiers
- Preferred name
- Benzothiazole, 2-(heptylthio)-
- IUPAC
- 2-heptylsulfanyl-1,3-benzothiazole
Names & synonyms
Benzothiazole, 2-(heptylthio)-Heptylcaptax15647-75-36C0S38ZK59NSC-190381NSC190381NSC 190381UNII-6C0S38ZK59SCHEMBL15501213DTXSID70166086HEPTYL MERCAPTOBENZOTHIAZOLE2-(HEPTYLTHIO)BENZOTHIAZOLE
Show more names
2-(heptylsulfanyl)-1,3-benzothiazole
Database identifiers
- CAS
15647-75-3- PubChem CID
- 99154
- DTXSID
DTXSID70166086- UNII
- 6C0S38ZK59
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…