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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H22N4O2S2.2ClH
Molecular Weight 391.381
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Imidazoline, 2,2′-[ethylenebis(oxyethylenethio)]di-, dihydrochloride

SMILES

Cl.Cl.C(COCCSC1=NCCN1)OCCSC2=NCCN2

InChI

InChIKey=JWEPPNRUNXUQKW-UHFFFAOYSA-N
InChI=1S/C12H22N4O2S2.2ClH/c1-2-14-11(13-1)19-9-7-17-5-6-18-8-10-20-12-15-3-4-16-12;;/h1-10H2,(H,13,14)(H,15,16);2*1H

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 C12H22N4O2S2
Molecular Weight 318.459
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 Sat Dec 16 12:49:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:18 GMT 2023
Record UNII
J9WN4W7N7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Imidazoline, 2,2′-[ethylenebis(oxyethylenethio)]di-, dihydrochloride
Systematic Name English
NSC-5195
Code English
Code System Code Type Description
PUBCHEM
79572
Created by admin on Sat Dec 16 12:49:18 GMT 2023 , Edited by admin on Sat Dec 16 12:49:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID40969844
Created by admin on Sat Dec 16 12:49:18 GMT 2023 , Edited by admin on Sat Dec 16 12:49:18 GMT 2023
PRIMARY
CAS
5459-62-1
Created by admin on Sat Dec 16 12:49:18 GMT 2023 , Edited by admin on Sat Dec 16 12:49:18 GMT 2023
PRIMARY
NSC
5195
Created by admin on Sat Dec 16 12:49:18 GMT 2023 , Edited by admin on Sat Dec 16 12:49:18 GMT 2023
PRIMARY
FDA UNII
J9WN4W7N7C
Created by admin on Sat Dec 16 12:49:18 GMT 2023 , Edited by admin on Sat Dec 16 12:49:18 GMT 2023
PRIMARY