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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12ClN3O3S
Molecular Weight 289.739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea

SMILES

OCCCNC(=S)NC1=C(Cl)C=CC(=C1)[N+]([O-])=O

InChI

InChIKey=FCAWDKNIWLFMLN-UHFFFAOYSA-N
InChI=1S/C10H12ClN3O3S/c11-8-3-2-7(14(16)17)6-9(8)13-10(18)12-4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13,18)

HIDE SMILES / InChI

Molecular Formula C10H12ClN3O3S
Molecular Weight 289.739
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 Wed Apr 02 09:59:01 GMT 2025
Edited
by admin
on Wed Apr 02 09:59:01 GMT 2025
Record UNII
B7U24WD8KJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
Systematic Name English
N-(2-Chloro-5-nitrophenyl)-N?-(3-hydroxypropyl)thiourea
Preferred Name English
Thiourea, N-(2-chloro-5-nitrophenyl)-N?-(3-hydroxypropyl)-
Systematic Name English
Code System Code Type Description
CAS
77594-94-6
Created by admin on Wed Apr 02 09:59:01 GMT 2025 , Edited by admin on Wed Apr 02 09:59:01 GMT 2025
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PUBCHEM
3018734
Created by admin on Wed Apr 02 09:59:01 GMT 2025 , Edited by admin on Wed Apr 02 09:59:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID70998809
Created by admin on Wed Apr 02 09:59:01 GMT 2025 , Edited by admin on Wed Apr 02 09:59:01 GMT 2025
PRIMARY
FDA UNII
B7U24WD8KJ
Created by admin on Wed Apr 02 09:59:01 GMT 2025 , Edited by admin on Wed Apr 02 09:59:01 GMT 2025
PRIMARY