2-BUTYL-2,3-DIHYDROBENZISOTHIAZOL-3-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13NOS
Molecular Weight	207.292
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-BUTYL-2,3-DIHYDROBENZISOTHIAZOL-3-ONE

Structure Search

SMILES

CCCCN1SC2=C(C=CC=C2)C1=O

InChI

InChIKey=LUYIHWDYPAZCNN-UHFFFAOYSA-N

InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H13NOS
Molecular Weight	207.292
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:55:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:26 GMT 2025`
Record UNII	7PK26VAT4Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-BUTYL-2,3-DIHYDROBENZISOTHIAZOL-3-ONE

Systematic Name

English

1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-BUTYL-

Preferred Name

English

N-BUTYL-1,2-BENZISOTHIAZOLIN-3-ONE

Systematic Name

English

2-BUTYL-1,2-BENZISOTHIAZOLIN-3-ONE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

98951

Created by admin on Mon Mar 31 21:55:26 GMT 2025 , Edited by admin on Mon Mar 31 21:55:26 GMT 2025

Code System Code Type Description

FDA UNII

7PK26VAT4Q

Created by admin on Mon Mar 31 21:55:26 GMT 2025 , Edited by admin on Mon Mar 31 21:55:26 GMT 2025

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CAS

4299-07-4

Created by admin on Mon Mar 31 21:55:26 GMT 2025 , Edited by admin on Mon Mar 31 21:55:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID2035649

Created by admin on Mon Mar 31 21:55:26 GMT 2025 , Edited by admin on Mon Mar 31 21:55:26 GMT 2025

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PUBCHEM

9837171

Created by admin on Mon Mar 31 21:55:26 GMT 2025 , Edited by admin on Mon Mar 31 21:55:26 GMT 2025

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