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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H22N4S3
Molecular Weight 342.546
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DITHIO-8-HEPTYLTHIOTHEOPHYLLINE

SMILES

CCCCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=S

InChI

InChIKey=MHJRZTULERREIP-UHFFFAOYSA-N
InChI=1S/C14H22N4S3/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
2,6-DITHIO-8-HEPTYLTHIOTHEOPHYLLINE
Common Name English
THEOPHYLLINE, 8-(HEPTYLTHIO)DITHIO-
Systematic Name English
NSC-97991
Code English
1H-PURINE-2,6-DITHIONE, 8-(HEPTYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
6466-23-5
Created by admin on Sat Dec 16 12:55:09 GMT 2023 , Edited by admin on Sat Dec 16 12:55:09 GMT 2023
PRIMARY
PUBCHEM
3034545
Created by admin on Sat Dec 16 12:55:09 GMT 2023 , Edited by admin on Sat Dec 16 12:55:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID90214932
Created by admin on Sat Dec 16 12:55:09 GMT 2023 , Edited by admin on Sat Dec 16 12:55:09 GMT 2023
PRIMARY
NSC
97991
Created by admin on Sat Dec 16 12:55:09 GMT 2023 , Edited by admin on Sat Dec 16 12:55:09 GMT 2023
PRIMARY
FDA UNII
KO7VVI6HY8
Created by admin on Sat Dec 16 12:55:09 GMT 2023 , Edited by admin on Sat Dec 16 12:55:09 GMT 2023
PRIMARY