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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N3OS
Molecular Weight 159.209
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6-dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one

SMILES

CC1(C)NNC(=S)NC1=O

InChI

InChIKey=QUNUNCZHJTZYMB-UHFFFAOYSA-N
InChI=1S/C5H9N3OS/c1-5(2)3(9)6-4(10)7-8-5/h8H,1-2H3,(H2,6,7,9,10)

HIDE SMILES / InChI

Approval Year

Name Type Language
TETRAHYDRO-6,6-DIMETHYL-3-THIOXO-1,2,4-TRIAZIN-5(2H)-ONE
Preferred Name English
6,6-dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one
Systematic Name English
3-Mercapto-6,6-dimethyl-1,6-dihydro-4H-[1,2,4]triazin-5-one
Systematic Name English
6,6-Dimethyl-3-thio-1,6-dihydro-as-triazine-3,5(2H,4H)-dione
Systematic Name English
1,2,4-Triazin-5(2H)-one, tetrahydro-6,6-dimethyl-3-thioxo-
Systematic Name English
3-Mercapto-6,6-dimethyl-1,6-dihydro-1,2,4-triazin-5(4H)-one
Systematic Name English
5,5-Dimethyl-5,6-dihydro-2-thio-6-azauracil
Systematic Name English
NSC-634156
Code English
NSC-258007
Code English
Code System Code Type Description
CAS
16992-40-8
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY
PUBCHEM
1549229
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-072-5
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY
NSC
258007
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY
FDA UNII
G37J6UYH6U
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID60168771
Created by admin on Tue Apr 01 18:20:48 GMT 2025 , Edited by admin on Tue Apr 01 18:20:48 GMT 2025
PRIMARY