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Details

Stereochemistry ACHIRAL
Molecular Formula C5H6O2S
Molecular Weight 130.165
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-4-METHYLTHIOPHEN-2(5H)-ONE

SMILES

CC1=C(O)C(=O)SC1

InChI

InChIKey=JYGDHIPTFIMTTN-UHFFFAOYSA-N
InChI=1S/C5H6O2S/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3

HIDE SMILES / InChI
Molecular Formula C5H6O2S
Molecular Weight 130.165
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:42:43 UTC 2023
Edited
by admin
on Sat Dec 16 07:42:43 UTC 2023
Record UNII
82S555S2NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-4-METHYLTHIOPHEN-2(5H)-ONE
Systematic Name English
CEPHALEXIN RELATED COMPOUND D [USP-RS]
Common Name English
3-HYDROXY-4-METHYLTHIOPHENONE
Common Name English
CEFRADINE IMPURITY F [EP IMPURITY]
Common Name English
CEPHALEXIN RELATED COMPOUND D
USP-RS  
Common Name English
2(5H)-THIOPHENONE, 3-HYDROXY-4-METHYL-
Systematic Name English
CROTONIC ACID, 2-HYDROXY-4-MERCAPTO-3-METHYL-, .GAMMA.-(THIO LACTONE)
Common Name English
CEFADROXIL MONOHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
CEFADROXIL IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
12919067
Created by admin on Sat Dec 16 07:42:43 UTC 2023 , Edited by admin on Sat Dec 16 07:42:43 UTC 2023
PRIMARY
RS_ITEM_NUM
1099041
Created by admin on Sat Dec 16 07:42:43 UTC 2023 , Edited by admin on Sat Dec 16 07:42:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID20188430
Created by admin on Sat Dec 16 07:42:43 UTC 2023 , Edited by admin on Sat Dec 16 07:42:43 UTC 2023
PRIMARY
CAS
34876-35-2
Created by admin on Sat Dec 16 07:42:43 UTC 2023 , Edited by admin on Sat Dec 16 07:42:43 UTC 2023
PRIMARY
FDA UNII
82S555S2NY
Created by admin on Sat Dec 16 07:42:43 UTC 2023 , Edited by admin on Sat Dec 16 07:42:43 UTC 2023
PRIMARY
Related Record Type Details
Structure of CEFADROXIL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CEPHALEXIN
PARENT -> IMPURITY
Structure of CEPHRADINE ANHYDROUS
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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