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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19NO3S2
Molecular Weight 289.414
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-sulfosulfanylethylamino)butylbenzene

SMILES

OS(=O)(=O)SCCNCCCCC1=CC=CC=C1

InChI

InChIKey=LBAPNIABYOOWDN-UHFFFAOYSA-N
InChI=1S/C12H19NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C12H19NO3S2
Molecular Weight 289.414
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 12:50:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:57 GMT 2023
Record UNII
6E9N4ESU2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-sulfosulfanylethylamino)butylbenzene
Systematic Name English
NSC-339141
Code English
Thiosulfuric acid (H2S2O3), S-[2-[(4-phenylbutyl)amino]ethyl] ester
Common Name English
ETHANETHIOL, 2-(4-PHENYLBUTYL)AMINO-, HYDROGEN SULFATE (ESTER)
Common Name English
WR-2754
Code English
Code System Code Type Description
NSC
339141
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
FDA UNII
6E9N4ESU2M
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
PUBCHEM
90110
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
CAS
23464-46-2
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00178016
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT