Basic information
- CAS
76383-18-1- Standard SMILES
CCCCCCCCSc1nc2ccc(N=Cc3ccccc3O)cc2s1- InChIKey
HBBKXEBKTZSHIP-UHFFFAOYSA-N- Molecular formula
- C22H26N2OS2
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.1486558
Names & identifiers
- Preferred name
- 2-[(2-Octylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
- IUPAC
- 2-[(2-octylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Names & synonyms
NSC32735576383-18-1CHEMBL6150915DTXSID80422367BDBM638730NSC-327355DS-012187US20230390287, ID 42Phenol,2-[[[2-(octylthio)-6-benzothiazolyl]imino]methyl]-(6E)-6-({[2-(Octylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
76383-18-1- PubChem CID
- 331973
- DTXSID
DTXSID80422367- ChEMBL
CHEMBL6150915
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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