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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N4O7S2
Molecular Weight 402.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Bis(4-amino-2-sulfophenyl)urea

SMILES

NC1=CC=C(NC(=O)NC2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O

InChI

InChIKey=YZINHSYVVYIZOR-UHFFFAOYSA-N
InChI=1S/C13H14N4O7S2/c14-7-1-3-9(11(5-7)25(19,20)21)16-13(18)17-10-4-2-8(15)6-12(10)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C13H14N4O7S2
Molecular Weight 402.403
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 19:29:52 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:52 GMT 2025
Record UNII
RY5S67N46W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Bis(4-amino-2-sulfophenyl)urea
Systematic Name English
Benzenesulfonic acid, 2,2?-(carbonyldiimino)bis[5-amino-
Preferred Name English
5,5?-Diamino-2,2?-ureylene-bis-benzenesulfonic acid
Systematic Name English
2,2?-(Carbonyldiimino)bis[5-aminobenzenesulfonic acid]
Systematic Name English
Benzenesulfonic acid, 2,2?-ureylenebis[5-amino-
Systematic Name English
Code System Code Type Description
FDA UNII
RY5S67N46W
Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025
PRIMARY
PUBCHEM
118543
Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID2067791
Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
251-654-0
Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025
PRIMARY
CAS
33719-44-7
Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025
PRIMARY