2-[{[2-(Methylsulfanyl)-1,3-benzothiazol-6-yl] imino}methyl]phenol

HCID 331964

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Basic information

CAS: 76383-07-8
Standard SMILES: CSc1nc2ccc(N=Cc3ccccc3O)cc2s1
InChIKey: DIJLQVWCPJVXOU-UHFFFAOYSA-N
Molecular formula: C15H12N2OS2
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.03910536

Names & identifiers

Preferred name: 2-[{[2-(Methylsulfanyl)-1,3-benzothiazol-6-yl] imino}methyl]phenol
IUPAC: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol

Names & synonyms

76383-07-8AC1O0MFFNSC327346Oprea1_487841DTXSID704217082-[{[2-(Methylsulfanyl)-1,3-benzothiazol-6-yl] imino}methyl]phenolNSC-327346(6E)-6-({[2-(Methylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one

Database identifiers

CAS: 76383-07-8
PubChem CID: 331964
DTXSID: DTXSID70421708

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 99 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 353

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