2-[(Oct-1-en-1-yl)sulfanyl]-1,3-benzothiazole
Basic information
- CAS
830321-10-3- Standard SMILES
CCCCCCC=CSc1nc2ccccc2s1- InChIKey
AZWMEUXXXHICIZ-UHFFFAOYSA-N- Molecular formula
- C15H19NS2
- Average molar mass
- 277.5 g/mol
- Monoisotopic mass
- 277.09589196
Names & identifiers
- Preferred name
- 2-[(Oct-1-en-1-yl)sulfanyl]-1,3-benzothiazole
- IUPAC
- 2-oct-1-enylsulfanyl-1,3-benzothiazole
Names & synonyms
830321-10-32-[(Oct-1-en-1-yl)sulfanyl]-1,3-benzothiazoleDTXSID40835974
Database identifiers
- CAS
830321-10-3- PubChem CID
- 71416596
- DTXSID
DTXSID40835974
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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