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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N3OS3
Molecular Weight 314.47
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of [3-[([2,4?-Bithiazol]-4-ylcarbonyl)amino]propyl]dimethylsulfonium

SMILES

C[S+](C)CCCNC(=O)C1=CSC(=N1)C2=CSC=N2

InChI

InChIKey=MUVIIXUWALFWKR-UHFFFAOYSA-O
InChI=1S/C12H15N3OS3/c1-19(2)5-3-4-13-11(16)9-7-18-12(15-9)10-6-17-8-14-10/h6-8H,3-5H2,1-2H3/p+1

HIDE SMILES / InChI

Molecular Formula C12H16N3OS3
Molecular Weight 314.47
Charge 1
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 Wed Apr 02 16:43:22 GMT 2025
Edited
by admin
on Wed Apr 02 16:43:22 GMT 2025
Record UNII
JSZ4XV87TE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL-[3-[[2-(1,3-THIAZOL-4-YL)1,3-THIAZOLE-4-CARBONYL]AMINO]PROPYL]SULFANIUM
Preferred Name English
[3-[([2,4?-Bithiazol]-4-ylcarbonyl)amino]propyl]dimethylsulfonium
Systematic Name English
Sulfonium, [3-[([2,4?-bithiazol]-4-ylcarbonyl)amino]propyl]dimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
149815
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
FDA UNII
JSZ4XV87TE
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
CAS
748085-32-7
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY