Basic information
- CAS
76383-12-5- Standard SMILES
CCCCSc1nc2ccc(N=Cc3ccccc3O)cc2s1- InChIKey
SFMBWKWAPIJOAS-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.08605555
Names & identifiers
- Preferred name
- (6E)-6-({[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Names & synonyms
76383-12-5NSC327350DTXSID70421061NSC-327350(6E)-6-({[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
76383-12-5- PubChem CID
- 331968
- DTXSID
DTXSID70421061
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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