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Home Other Building Blocks 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid

2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid

CAS No.:
51527-19-6
Catalog Number:
AG00D9VU
Molecular Formula:
C11H9ClO2S
Molecular Weight:
240.7060
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$119
- +
1g
98%
In Stock USA
United States
$288
- +
Product Description
Catalog Number:
AG00D9VU
Chemical Name:
2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid
CAS Number:
51527-19-6
Molecular Formula:
C11H9ClO2S
Molecular Weight:
240.7060
MDL Number:
MFCD00052300
IUPAC Name:
2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
InChI:
InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
QNJIHQOPIPJYLU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sc2c(c1C)cc(cc2)Cl
UNII:
P0T3ZRK3XV
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.701g/mol
Monoisotopic Mass:
240.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nature chemical biology 20100901
Properties