U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18S2
Molecular Weight 274.444
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-XYLYL 3,4-XYLYL DISULFIDE

SMILES

CC1=C(C)C=C(SSC2=CC=CC(C)=C2C)C=C1

InChI

InChIKey=MLRBPQOZJFAPBS-UHFFFAOYSA-N
InChI=1S/C16H18S2/c1-11-8-9-15(10-13(11)3)17-18-16-7-5-6-12(2)14(16)4/h5-10H,1-4H3

HIDE SMILES / InChI

Molecular Formula C16H18S2
Molecular Weight 274.444
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 Sat Dec 16 12:01:41 UTC 2023
Edited
by admin
on Sat Dec 16 12:01:41 UTC 2023
Record UNII
7H475H67GE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-XYLYL 3,4-XYLYL DISULFIDE
Systematic Name English
DISULFIDE, 2,3-DIMETHYLPHENYL 3,4-DIMETHYLPHENYL
Systematic Name English
Code System Code Type Description
CAS
65087-16-3
Created by admin on Sat Dec 16 12:01:41 UTC 2023 , Edited by admin on Sat Dec 16 12:01:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
265-400-1
Created by admin on Sat Dec 16 12:01:41 UTC 2023 , Edited by admin on Sat Dec 16 12:01:41 UTC 2023
PRIMARY
FDA UNII
7H475H67GE
Created by admin on Sat Dec 16 12:01:41 UTC 2023 , Edited by admin on Sat Dec 16 12:01:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID8070201
Created by admin on Sat Dec 16 12:01:41 UTC 2023 , Edited by admin on Sat Dec 16 12:01:41 UTC 2023
PRIMARY
PUBCHEM
103168
Created by admin on Sat Dec 16 12:01:41 UTC 2023 , Edited by admin on Sat Dec 16 12:01:41 UTC 2023
PRIMARY