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53614-69-0,MFCD00966892
Catalog No.:AA01EWB1

53614-69-0 | 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$129.00   $90.00
- +
500mg
98%
in stock  
$358.00   $250.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EWB1
Chemical Name:
2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
CAS Number:
53614-69-0
Molecular Formula:
C14H10OS
Molecular Weight:
226.2936
MDL Number:
MFCD00966892
SMILES:
O=C1C(Sc2c1cccc2)c1ccccc1
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
270  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Literature

Title: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia.

Journal: Journal of medicinal chemistry 20110526

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SDS
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Tags:53614-69-0 Molecular Formula|53614-69-0 MDL|53614-69-0 SMILES|53614-69-0 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
Catalog No.: AA01EWB1
53614-69-0,MFCD00966892
53614-69-0 | 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
Pack Size： 100mg
Purity： 98%
in stock
$129.00 $90.00
Pack Size： 500mg
Purity： 98%
in stock
$358.00 $250.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EWB1
Chemical Name: 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one
CAS Number: 53614-69-0
Molecular Formula: C14H10OS
Molecular Weight: 226.2936
MDL Number: MFCD00966892
SMILES: O=C1C(Sc2c1cccc2)c1ccccc1
Properties
Form: Solid  
Complexity: 270  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Literature fold

Title: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia.

Journal: Journal of medicinal chemistry20110526

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