Basic information
- CAS
76383-16-9- Standard SMILES
CCCCCCSc1nc2ccc(N=Cc3ccccc3O)cc2s1- InChIKey
AIFIUKHBQFRURN-UHFFFAOYSA-N- Molecular formula
- C20H22N2OS2
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.11735568
Names & identifiers
- Preferred name
- 2-[(2-Hexylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
- IUPAC
- 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Names & synonyms
NSC32735376383-16-9DTXSID80421592NSC-327353(6E)-6-({[2-(Hexylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
76383-16-9- PubChem CID
- 331971
- DTXSID
DTXSID80421592
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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