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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14N2S.ClH
Molecular Weight 218.747
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Propylthio)benzene-1,2-diamine hydrochloride

SMILES

Cl.CCCSC1=CC(N)=C(N)C=C1

InChI

InChIKey=WEXOIPBOPIVXDZ-UHFFFAOYSA-N
InChI=1S/C9H14N2S.ClH/c1-2-5-12-7-3-4-8(10)9(11)6-7;/h3-4,6H,2,5,10-11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C9H14N2S
Molecular Weight 182.286
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:20:52 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:52 GMT 2025
Record UNII
9K275AQH8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Propylthio)benzene-1,2-diamine hydrochloride
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID70206476
Created by admin on Tue Apr 01 19:20:52 GMT 2025 , Edited by admin on Tue Apr 01 19:20:52 GMT 2025
PRIMARY
FDA UNII
9K275AQH8W
Created by admin on Tue Apr 01 19:20:52 GMT 2025 , Edited by admin on Tue Apr 01 19:20:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
260-949-3
Created by admin on Tue Apr 01 19:20:52 GMT 2025 , Edited by admin on Tue Apr 01 19:20:52 GMT 2025
PRIMARY
CAS
57780-76-4
Created by admin on Tue Apr 01 19:20:52 GMT 2025 , Edited by admin on Tue Apr 01 19:20:52 GMT 2025
PRIMARY
PUBCHEM
6365551
Created by admin on Tue Apr 01 19:20:52 GMT 2025 , Edited by admin on Tue Apr 01 19:20:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE