2-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)BUTYLAMINO)ETHANOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20N2O2S
Molecular Weight	280.386
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)BUTYLAMINO)ETHANOL

Structure Search

SMILES

CCCCN(CCO)COC1=NSC2=C1C=CC=C2

InChI

InChIKey=WEWBIJGRAIWBLG-UHFFFAOYSA-N

InChI=1S/C14H20N2O2S/c1-2-3-8-16(9-10-17)11-18-14-12-6-4-5-7-13(12)19-15-14/h4-7,17H,2-3,8-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H20N2O2S
Molecular Weight	280.386
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 `Wed Apr 02 12:14:22 GMT 2025` Edited by `admin` on `Wed Apr 02 12:14:22 GMT 2025`
Record UNII	CLD53YB4XS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)BUTYLAMINO)ETHANOL

Systematic Name

English

2-(1,2-BENZOTHIAZOL-3-YLOXYMETHYL(BUTYL)AMINO)ETHANOL

Preferred Name

English

ETHANOL, 2-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)BUTYLAMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

53423483

Created by admin on Wed Apr 02 12:14:22 GMT 2025 , Edited by admin on Wed Apr 02 12:14:22 GMT 2025

PRIMARY

CAS

94087-25-9

Created by admin on Wed Apr 02 12:14:22 GMT 2025 , Edited by admin on Wed Apr 02 12:14:22 GMT 2025

PRIMARY

ECHA (EC/EINECS)

301-918-7

Created by admin on Wed Apr 02 12:14:22 GMT 2025 , Edited by admin on Wed Apr 02 12:14:22 GMT 2025

PRIMARY

FDA UNII

CLD53YB4XS

Created by admin on Wed Apr 02 12:14:22 GMT 2025 , Edited by admin on Wed Apr 02 12:14:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID50240414

Created by admin on Wed Apr 02 12:14:22 GMT 2025 , Edited by admin on Wed Apr 02 12:14:22 GMT 2025

PRIMARY