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Home Other Building Blocks 2-Phenylthiomethylbenzoic acid

2-Phenylthiomethylbenzoic acid

CAS No.:
1699-03-2
Catalog Number:
AG003HVY
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
1 week
United States
$249
- +
25g
1 week
United States
$691
- +
Product Description
Catalog Number:
AG003HVY
Chemical Name:
2-Phenylthiomethylbenzoic acid
CAS Number:
1699-03-2
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD00089444
IUPAC Name:
2-(phenylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChI Key:
QXPRAGVOCILNHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CSc1ccccc1
EC Number:
216-922-3
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and Antimicrobial Evaluation of Dibenzo[b,e]oxepin-11(6H)-one O-Benzoyloxime Derivatives. Scientia pharmaceutica 20110101
Properties