4-CHLORO-2-OCTYL-4-ISOTHIAZOLIN-3-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H18ClNOS
Molecular Weight	247.785
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-CHLORO-2-OCTYL-4-ISOTHIAZOLIN-3-ONE

Structure Search

SMILES

CCCCCCCCN1SC=C(Cl)C1=O

InChI

InChIKey=PHXZQPLQBTYCFV-UHFFFAOYSA-N

InChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)10(12)9-15-13/h9H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H18ClNOS
Molecular Weight	247.785
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:38:56 GMT 2025` Edited by `admin` on `Mon Mar 31 21:38:56 GMT 2025`
Record UNII	18T1O365TY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-CHLORO-2-OCTYL-4-ISOTHIAZOLIN-3-ONE

Systematic Name

English

3(2H)-ISOTHIAZOLONE, 4-CHLORO-2-OCTYL-

Preferred Name

English

4-CHLORO-2-OCTYL-2H-ISOTHIAZOL-3-ONE

Systematic Name

English

CHLORO-2-N-OCTYL-3(2H)-ISOTHIAZOLONE, 4-

Systematic Name

English

Code System Code Type Description

CAS

64359-80-4

Created by admin on Mon Mar 31 21:38:56 GMT 2025 , Edited by admin on Mon Mar 31 21:38:56 GMT 2025

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PUBCHEM

116607

Created by admin on Mon Mar 31 21:38:56 GMT 2025 , Edited by admin on Mon Mar 31 21:38:56 GMT 2025

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EPA CompTox

DTXSID6041509

Created by admin on Mon Mar 31 21:38:56 GMT 2025 , Edited by admin on Mon Mar 31 21:38:56 GMT 2025

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FDA UNII

18T1O365TY

Created by admin on Mon Mar 31 21:38:56 GMT 2025 , Edited by admin on Mon Mar 31 21:38:56 GMT 2025

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ECHA (EC/EINECS)

264-842-2

Created by admin on Mon Mar 31 21:38:56 GMT 2025 , Edited by admin on Mon Mar 31 21:38:56 GMT 2025

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