Bis-(4-chloro-phenyl)-isothiazol-5-yl-methanol

HCID 4204275
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Basic information

Standard SMILES
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccns1
InChIKey
ODIXSVXECWIULF-UHFFFAOYSA-N
Molecular formula
C16H11Cl2NOS
Average molar mass
336.2 g/mol
Monoisotopic mass
334.9938405

Names & identifiers

Preferred name
Bis-(4-chloro-phenyl)-isothiazol-5-yl-methanol
IUPAC
bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol

Names & synonyms

CHEMBL132708SCHEMBL10508410ODIXSVXECWIULF-UHFFFAOYSA-NBDBM50014804Bis-(4-chloro-phenyl)-isothiazol-5-yl-methanolalpha,alpha-Bis(4-chlorophenyl)-5-isothiazolemethanol

Database identifiers

PubChem CID
4204275
ChEMBL
CHEMBL132708
Nikkaji
J272.168F

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
61.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
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Compound notes

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