2-benzyl-5-chloroisothiazol-3(2H)-one

HCID 4345152
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Basic information

Standard SMILES
O=c1cc(Cl)sn1Cc1ccccc1
InChIKey
BXQOWUSZAWCFIL-UHFFFAOYSA-N
Molecular formula
C10H8ClNOS
Average molar mass
225.7 g/mol

Names & identifiers

Preferred name
2-benzyl-5-chloroisothiazol-3(2H)-one
IUPAC
2-benzyl-5-chloro-1,2-thiazol-3-one

Names & synonyms

2-benzyl-5-chloroisothiazol-3(2H)-one26542-22-3Cambridge id 6611823SCHEMBL80967CHEMBL572995BXQOWUSZAWCFIL-UHFFFAOYSA-NCCG-4877AKOS0016431892-benzyl-5-chloro-4-isothiazolin-3-oneEU-0042953SR-01000475514SR-01000475514-1

Database identifiers

PubChem CID
4345152
ChEMBL
CHEMBL572995

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
45.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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