2-chloropropyl 4-methylbenzenesulfonate

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H13ClO3S
Molecular Weight	248.726
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-chloropropyl 4-methylbenzenesulfonate

Structure Search

SMILES

CC(Cl)COS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=DTCLMCCJGBPJJJ-UHFFFAOYSA-N

InChI=1S/C10H13ClO3S/c1-8-3-5-10(6-4-8)15(12,13)14-7-9(2)11/h3-6,9H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H13ClO3S
Molecular Weight	248.726
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:30:19 GMT 2025` Edited by `admin` on `Wed Apr 02 13:30:19 GMT 2025`
Record UNII	2H85W5CLE8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-chloropropyl 4-methylbenzenesulfonate

Systematic Name

English

2-Chloro-1-propyl tosylate

Preferred Name

English

2-CHLOROPROPYL TOLUENE-4-SULPHONATE

Systematic Name

English

Propyl 2-chloro-4-methylbenzenesulfonate

Systematic Name

English

1-Propanol, 2-chloro-, 1-(4-methylbenzenesulfonate)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00969885

Created by admin on Wed Apr 02 13:30:19 GMT 2025 , Edited by admin on Wed Apr 02 13:30:19 GMT 2025

PRIMARY

FDA UNII

2H85W5CLE8

Created by admin on Wed Apr 02 13:30:19 GMT 2025 , Edited by admin on Wed Apr 02 13:30:19 GMT 2025

PRIMARY

PUBCHEM

108254

Created by admin on Wed Apr 02 13:30:19 GMT 2025 , Edited by admin on Wed Apr 02 13:30:19 GMT 2025

PRIMARY

CAS

54619-29-3

Created by admin on Wed Apr 02 13:30:19 GMT 2025 , Edited by admin on Wed Apr 02 13:30:19 GMT 2025

PRIMARY