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Home Other Building Blocks 2-[(Diphenylmethyl)thio]acetic acid

2-[(Diphenylmethyl)thio]acetic acid

CAS No.:
63547-22-8
Catalog Number:
AG003EZ2
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003EZ2
Chemical Name:
2-[(Diphenylmethyl)thio]acetic acid
CAS Number:
63547-22-8
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
MDL Number:
MFCD05262040
IUPAC Name:
2-benzhydrylsulfanylacetic acid
InChI:
InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
InChI Key:
HTHFEDOFDBZPRX-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(c1ccccc1)c1ccccc1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties