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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H29N3S.ClH
Molecular Weight 331.948
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5,6,7-Tetrahydro-N<SUP>2</SUP>,N<SUP>6</SUP>,N<SUP>6</SUP>-tripropyl-2,6-benzothiazolediamine hydrochloride, (6S)-

SMILES

Cl.CCCNC1=NC2=C(C[C@H](CC2)N(CCC)CCC)S1

InChI

InChIKey=XTZWJSQXQNZUHH-ZOWNYOTGSA-N
InChI=1S/C16H29N3S.ClH/c1-4-9-17-16-18-14-8-7-13(12-15(14)20-16)19(10-5-2)11-6-3;/h13H,4-12H2,1-3H3,(H,17,18);1H/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H29N3S
Molecular Weight 295.487
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:45 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:45 GMT 2025
Record UNII
JL66S98XVH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5,6,7-Tetrahydro-N<SUP>2</SUP>,N<SUP>6</SUP>,N<SUP>6</SUP>-tripropyl-2,6-benzothiazolediamine hydrochloride, (6S)-
Systematic Name English
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N<SUP>2</SUP>,N<SUP>6</SUP>,N<SUP>6</SUP>-tripropyl-, hydrochloride
Preferred Name English
Code System Code Type Description
PUBCHEM
163203038
Created by admin on Wed Apr 02 17:30:45 GMT 2025 , Edited by admin on Wed Apr 02 17:30:45 GMT 2025
PRIMARY
FDA UNII
JL66S98XVH
Created by admin on Wed Apr 02 17:30:45 GMT 2025 , Edited by admin on Wed Apr 02 17:30:45 GMT 2025
PRIMARY
CAS
1585235-18-2
Created by admin on Wed Apr 02 17:30:45 GMT 2025 , Edited by admin on Wed Apr 02 17:30:45 GMT 2025
PRIMARY