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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H25NO3S2
Molecular Weight 295.462
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Sulfosulfanylethylamino)butylcyclohexane

SMILES

OS(=O)(=O)SCCNCCCCC1CCCCC1

InChI

InChIKey=ZXQNHZRSLAQFIO-UHFFFAOYSA-N
InChI=1S/C12H25NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C12H25NO3S2
Molecular Weight 295.462
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 12:38:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:15 GMT 2023
Record UNII
PFU5WA48H2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-Sulfosulfanylethylamino)butylcyclohexane
Systematic Name English
ETHANETHIOL, 2-(4-CYCLOHEXYLBUTYL)AMINO-, HYDROGEN SULFATE (ESTER)
Common Name English
WR-2691
Code English
Thiosulfuric acid (H2S2O3), S-[2-[(4-cyclohexylbutyl)amino]ethyl] ester
Common Name English
Thiosulfuric acid, S-[2-[(4-cyclohexylbutyl)amino]ethyl] ester
Common Name English
NSC-348969
Code English
Code System Code Type Description
CAS
19142-99-5
Created by admin on Sat Dec 16 12:38:15 GMT 2023 , Edited by admin on Sat Dec 16 12:38:15 GMT 2023
PRIMARY
FDA UNII
PFU5WA48H2
Created by admin on Sat Dec 16 12:38:15 GMT 2023 , Edited by admin on Sat Dec 16 12:38:15 GMT 2023
PRIMARY
NSC
348969
Created by admin on Sat Dec 16 12:38:15 GMT 2023 , Edited by admin on Sat Dec 16 12:38:15 GMT 2023
PRIMARY
PUBCHEM
100696
Created by admin on Sat Dec 16 12:38:15 GMT 2023 , Edited by admin on Sat Dec 16 12:38:15 GMT 2023
PRIMARY