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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O6S2
Molecular Weight 216.233
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide

SMILES

CC1S(=O)(=O)OCCOS1(=O)=O

InChI

InChIKey=XPMXSCXQTAOMAE-UHFFFAOYSA-N
InChI=1S/C4H8O6S2/c1-4-11(5,6)9-2-3-10-12(4,7)8/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H8O6S2
Molecular Weight 216.233
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 Tue Apr 01 19:37:39 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:39 GMT 2025
Record UNII
5D7GN58YRU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-372239
Preferred Name English
3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Systematic Name English
1,5,2,4-Dioxadithiepane
Common Name English
1,5,2,4-Dioxadithiepane, 3-methyl-, 2,2,4,4-tetraoxide
Systematic Name English
Code System Code Type Description
CAS
99591-80-7
Created by admin on Tue Apr 01 19:37:39 GMT 2025 , Edited by admin on Tue Apr 01 19:37:39 GMT 2025
PRIMARY
FDA UNII
5D7GN58YRU
Created by admin on Tue Apr 01 19:37:39 GMT 2025 , Edited by admin on Tue Apr 01 19:37:39 GMT 2025
PRIMARY
PUBCHEM
340936
Created by admin on Tue Apr 01 19:37:39 GMT 2025 , Edited by admin on Tue Apr 01 19:37:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID40244148
Created by admin on Tue Apr 01 19:37:39 GMT 2025 , Edited by admin on Tue Apr 01 19:37:39 GMT 2025
PRIMARY
NSC
372239
Created by admin on Tue Apr 01 19:37:39 GMT 2025 , Edited by admin on Tue Apr 01 19:37:39 GMT 2025
PRIMARY