U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C13H23N3S
Molecular Weight 253.407
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<SUP>6</SUP>,N<SUP>6</SUP>-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

SMILES

CCCN(CCC)C1CCC2=C(C1)SC(N)=N2

InChI

InChIKey=ABRFKTAFRQVZBR-UHFFFAOYSA-N
InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)

HIDE SMILES / InChI

Molecular Formula C13H23N3S
Molecular Weight 253.407
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
4G9YDM8VMF
Record Status Validated (UNII)
Record Version