2-(1-Methylbutyl)benzisothiazolin-3-one

HCID 19595697
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Basic information

Standard SMILES
CCCC(C)n1sc2ccccc2c1=O
InChIKey
YAKYTOQVNXJJQU-UHFFFAOYSA-N
Molecular formula
C12H15NOS
Average molar mass
221.32 g/mol

Names & identifiers

Preferred name
2-(1-Methylbutyl)benzisothiazolin-3-one
IUPAC
2-pentan-2-yl-1,2-benzothiazol-3-one

Names & synonyms

SCHEMBL8343779YAKYTOQVNXJJQU-UHFFFAOYSA-N2-(1-methylbutyl)benzisothiazolin-3-one

Database identifiers

PubChem CID
19595697

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
45.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Related reactions

1 records
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Compound notes

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