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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NS3.C2H2O4
Molecular Weight 271.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOCYCLAM OXALATE

SMILES

OC(=O)C(O)=O.CN(C)C1CSSSC1

InChI

InChIKey=ICTQUFQQEYSGGJ-UHFFFAOYSA-N
InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI
Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C5H11NS3
Molecular Weight 181.343
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:54:38 GMT 2025
Edited
by admin
on Mon Mar 31 19:54:38 GMT 2025
Record UNII
G3LOM1T4X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOCYCLAM OXALATE
ISO  
Common Name English
THIOCYCLAM OXALATE [ISO]
Preferred Name English
N,N-DIMETHYL-1,2,3-TRITHIAN-5-AMINE ETHANEDIOATE (1:1)
Systematic Name English
N,N-DIMETHYL-1,2,3-TRITHIAN-5-YLAMINE OXALATE (1:1)
Systematic Name English
THIOCYCLAM-HYDROGEN OXALATE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 128868
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
Code System Code Type Description
CAS
31895-22-4
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
FDA UNII
G3LOM1T4X9
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
CHEBI
133553
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID0047036
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-859-2
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
ALANWOOD
thiocyclam oxalate
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
PUBCHEM
35969
Created by admin on Mon Mar 31 19:54:38 GMT 2025 , Edited by admin on Mon Mar 31 19:54:38 GMT 2025
PRIMARY
Related Record Type Details
Structure of THIOCYCLAM
PARENT -> SALT/SOLVATE
Structure of Oxalic Acid
PARENT -> SALT/SOLVATE
Structure of Oxalic Acid
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966