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Home Other Building Blocks 2-(Carboxymethylthio)benzoic acid

2-(Carboxymethylthio)benzoic acid

CAS No.:
135-13-7
Catalog Number:
AG003F08
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
1 week
United States
$78
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Product Description
Catalog Number:
AG003F08
Chemical Name:
2-(Carboxymethylthio)benzoic acid
CAS Number:
135-13-7
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
MDL Number:
MFCD00021761
IUPAC Name:
2-(carboxymethylsulfanyl)benzoic acid
InChI:
InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
GMBZSYUPMWCDGK-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccccc1C(=O)O
EC Number:
205-178-5
UNII:
P2T1UOX9U3
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.219g/mol
Monoisotopic Mass:
212.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Chloridobis(1,10-phenanthroline-κN,N')copper(II) tetra-kis-(nitrato-κO,O')(1,10-phenanthroline-κN,N')terbate(III). Acta crystallographica. Section E, Structure reports online 20110601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
2-[(2-Carboxy-phen-yl)sulfan-yl]acetic acid. Acta crystallographica. Section E, Structure reports online 20091001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties