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Details

Stereochemistry ACHIRAL
Molecular Formula C13H9ClOS
Molecular Weight 248.728
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-chlorothiophen-2-yl)-3-phenylprop-2-en-1-one

SMILES

ClC1=CC=C(S1)C(=O)\C=C\C2=CC=CC=C2

InChI

InChIKey=RXRRRWWGTQBBHT-VOTSOKGWSA-N
InChI=1S/C13H9ClOS/c14-13-9-8-12(16-13)11(15)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+

HIDE SMILES / InChI

Molecular Formula C13H9ClOS
Molecular Weight 248.728
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:38:13 GMT 2025
Edited
by admin
on Tue Apr 01 19:38:13 GMT 2025
Record UNII
WQ7D86YA5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-chlorothiophen-2-yl)-3-phenylprop-2-en-1-one
Systematic Name English
NSC-43051
Preferred Name English
1-(5-Chloro-2-thienyl)-3-phenyl-2-propen-1-one
Systematic Name English
2-Propen-1-one, 1-(5-chloro-2-thienyl)-3-phenyl-, (2E)-
Systematic Name English
2-Propen-1-one, 1-(5-chloro-2-thienyl)-3-phenyl-
Systematic Name English
(2E)-1-(5-Chloro-2-thienyl)-3-phenyl-2-propen-1-one
Systematic Name English
NSC-54864
Code English
Code System Code Type Description
CAS
286956-04-5
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID501237130
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
PRIMARY
NSC
43051
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
PRIMARY
PUBCHEM
5355672
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
PRIMARY
FDA UNII
WQ7D86YA5X
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
PRIMARY
CAS
6310-23-2
Created by admin on Tue Apr 01 19:38:13 GMT 2025 , Edited by admin on Tue Apr 01 19:38:13 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY