7-Chloro-2-(methylthio)benzo[d]thiazol-6-ol

HCID 57725521

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CSc1nc2ccc(O)c(Cl)c2s1
InChIKey: JBNQSQRXIQLHRA-UHFFFAOYSA-N
Molecular formula: C8H6ClNOS2
Average molar mass: 231.7 g/mol
Monoisotopic mass: 230.9579339

Names & identifiers

Preferred name: 7-Chloro-2-(methylthio)benzo[d]thiazol-6-ol
IUPAC: 7-chloro-2-methylsulfanyl-1,3-benzothiazol-6-ol

Names & synonyms

SCHEMBL2677339JBNQSQRXIQLHRA-UHFFFAOYSA-N7-chloro-2-(methylthio)benzo[d]thiazol-6-ol

Database identifiers

PubChem CID: 57725521

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 195

Related reactions

7 records

New reaction record

HRID 941299As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1922269As productuspto-grants-2012_05

HRID 1922270As reactantuspto-grants-2012_05

HRID 1988472As productuspto-grants-2009_06

HRID 1988473As reactantuspto-grants-2009_06

HRID 2370561As productuspto-grants-2014_04

HRID 2370562As reactantuspto-grants-2014_04

Compound notes

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