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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12Cl4N2S
Molecular Weight 394.146
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Bis(3,4-dichlorobenzyl)-2-thiourea

SMILES

ClC1=C(Cl)C=C(CNC(=S)NCC2=CC(Cl)=C(Cl)C=C2)C=C1

InChI

InChIKey=QSXLKFCJGCHVKC-UHFFFAOYSA-N
InChI=1S/C15H12Cl4N2S/c16-11-3-1-9(5-13(11)18)7-20-15(22)21-8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)

HIDE SMILES / InChI

Molecular Formula C15H12Cl4N2S
Molecular Weight 394.146
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 19:44:56 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:56 GMT 2025
Record UNII
KAU7459B2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-221248
Preferred Name English
1,3-Bis(3,4-dichlorobenzyl)-2-thiourea
Systematic Name English
Urea, 1,3-bis(3,4-dichlorobenzyl)-2-thio-
Systematic Name English
N,N?-Bis[(3,4-dichlorophenyl)methyl]thiourea
Systematic Name English
Thiourea, N,N?-bis[(3,4-dichlorophenyl)methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
KAU7459B2Q
Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025
PRIMARY
NSC
221248
Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025
PRIMARY
CAS
23749-87-3
Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID10178421
Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025
PRIMARY
PUBCHEM
3034612
Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025
PRIMARY