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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O2S
Molecular Weight 254.309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ETHYLTHIOCAFFEINE

SMILES

CCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=USJVLLPKULLJIL-UHFFFAOYSA-N
InChI=1S/C10H14N4O2S/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
8-ETHYLTHIOCAFFEINE
Systematic Name English
ETHYLTHIOCAFFEINE, 8-
Systematic Name English
NSC-8811
Code English
Code System Code Type Description
EPA CompTox
DTXSID10212036
Created by admin on Fri Dec 15 18:44:39 GMT 2023 , Edited by admin on Fri Dec 15 18:44:39 GMT 2023
PRIMARY
FDA UNII
706T7605G4
Created by admin on Fri Dec 15 18:44:39 GMT 2023 , Edited by admin on Fri Dec 15 18:44:39 GMT 2023
PRIMARY
CAS
6287-57-6
Created by admin on Fri Dec 15 18:44:39 GMT 2023 , Edited by admin on Fri Dec 15 18:44:39 GMT 2023
PRIMARY
NSC
8811
Created by admin on Fri Dec 15 18:44:39 GMT 2023 , Edited by admin on Fri Dec 15 18:44:39 GMT 2023
PRIMARY
PUBCHEM
64124
Created by admin on Fri Dec 15 18:44:39 GMT 2023 , Edited by admin on Fri Dec 15 18:44:39 GMT 2023
PRIMARY