7-Methoxy-2-(methylthio)benzo[d]thiazole

Substructure search Find similar structures

Basic information

CAS: 2942-19-0
Standard SMILES: COc1cccc2nc(SC)sc12
InChIKey: VSYQXFCBXNWWHS-UHFFFAOYSA-N
Molecular formula: C9H9NOS2
Average molar mass: 211.3 g/mol

Names & identifiers

Preferred name: 7-Methoxy-2-(methylthio)benzo[d]thiazole
IUPAC: 7-methoxy-2-methylsulfanyl-1,3-benzothiazole
English name: Benzothiazole, 7-methoxy-2-(methylthio)- (7CI,8CI)
Molecular formula: C9H9NOS2
Molecular weight: 211.30386

Names & synonyms

2942-19-07-methoxy-2-(methylthio)benzo[d]thiazoleSCHEMBL19782783SCHEMBL30189894DB-274914BENZOTHIAZOLE, 7-METHOXY-2-(METHYLTHIO)-Benzothiazole, 7-methoxy-2-(methylthio)- (7CI,8CI)

Database identifiers

CAS: 2942-19-0

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 75.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 179

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…