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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O2S
Molecular Weight 248.301
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

SMILES

COC(=O)C1=CNC(=S)N1CC2=CC=CC=C2

InChI

InChIKey=FWTOEPHWNFXPPZ-UHFFFAOYSA-N
InChI=1S/C12H12N2O2S/c1-16-11(15)10-7-13-12(17)14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,17)

HIDE SMILES / InChI

Molecular Formula C12H12N2O2S
Molecular Weight 248.301
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 21:13:34 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:34 GMT 2025
Record UNII
7XFQ5J4MM9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate
Systematic Name English
NSC-91544
Preferred Name English
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-(phenylmethyl)-2-thioxo-, methyl ester
Systematic Name English
Code System Code Type Description
NSC
91544
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
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EPA CompTox
DTXSID80226968
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
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PUBCHEM
1549704
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
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ECHA (EC/EINECS)
278-369-4
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
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FDA UNII
7XFQ5J4MM9
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
PRIMARY
CAS
76075-15-5
Created by admin on Wed Apr 02 21:13:34 GMT 2025 , Edited by admin on Wed Apr 02 21:13:34 GMT 2025
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