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Details

Stereochemistry ACHIRAL
Molecular Formula C18H27N3O9S3
Molecular Weight 525.617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate

SMILES

SCCC(=O)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O

InChI

InChIKey=CFKONAWMNQERAG-UHFFFAOYSA-N
InChI=1S/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2

HIDE SMILES / InChI

Molecular Formula C18H27N3O9S3
Molecular Weight 525.617
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 19:29:53 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:53 GMT 2025
Record UNII
QDF33V439Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanoic acid, 3-mercapto-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester
Preferred Name English
Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate
Common Name English
Propanoic acid, 3-mercapto-, 1,1?,1??-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] ester
Systematic Name English
1,1?,1??-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] tris(3-mercaptopropanoate)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2067959
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
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FDA UNII
QDF33V439Z
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
CAS
36196-44-8
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
PUBCHEM
118925
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
252-907-8
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY