Phenyl 2,4-diisocyanato-5-methylbenzenesulfonate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H10N2O5S
Molecular Weight	330.315
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Phenyl 2,4-diisocyanato-5-methylbenzenesulfonate

Structure Search

SMILES

CC1=C(C=C(N=C=O)C(=C1)S(=O)(=O)OC2=CC=CC=C2)N=C=O

InChI

InChIKey=YOYNLXLKRDWFKJ-UHFFFAOYSA-N

InChI=1S/C15H10N2O5S/c1-11-7-15(14(17-10-19)8-13(11)16-9-18)23(20,21)22-12-5-3-2-4-6-12/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula	C15H10N2O5S
Molecular Weight	330.315
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:52:49 GMT 2025` Edited by `admin` on `Tue Apr 01 19:52:49 GMT 2025`
Record UNII	SNB8YC2NYV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzenesulfonic acid, 2,4-diisocyanato-5-methyl-, phenyl ester

Preferred Name

English

Phenyl 2,4-diisocyanato-5-methylbenzenesulfonate

Systematic Name

English

Code System Code Type Description

CAS

93805-47-1

Created by admin on Tue Apr 01 19:52:49 GMT 2025 , Edited by admin on Tue Apr 01 19:52:49 GMT 2025

PRIMARY

EPA CompTox

DTXSID50239707

Created by admin on Tue Apr 01 19:52:49 GMT 2025 , Edited by admin on Tue Apr 01 19:52:49 GMT 2025

PRIMARY

PUBCHEM

6366245

Created by admin on Tue Apr 01 19:52:49 GMT 2025 , Edited by admin on Tue Apr 01 19:52:49 GMT 2025

PRIMARY

FDA UNII

SNB8YC2NYV

Created by admin on Tue Apr 01 19:52:49 GMT 2025 , Edited by admin on Tue Apr 01 19:52:49 GMT 2025

PRIMARY

ECHA (EC/EINECS)

298-530-2

Created by admin on Tue Apr 01 19:52:49 GMT 2025 , Edited by admin on Tue Apr 01 19:52:49 GMT 2025

PRIMARY