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Home Carboxys 2-Amino-benzothiazole-6-carboxylic acid 2-methoxy-ethyl ester

2-Amino-benzothiazole-6-carboxylic acid 2-methoxy-ethyl ester

CAS No.:
436088-66-3
Catalog Number:
AG00D9IW
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$182
- +
1g
95%
1 week
United States
$399
- +
Product Description
Catalog Number:
AG00D9IW
Chemical Name:
2-Amino-benzothiazole-6-carboxylic acid 2-methoxy-ethyl ester
CAS Number:
436088-66-3
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
MDL Number:
MFCD02609568
IUPAC Name:
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C11H12N2O3S/c1-15-4-5-16-10(14)7-2-3-8-9(6-7)17-11(12)13-8/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChI Key:
SRZNIAFAHGDVEJ-UHFFFAOYSA-N
SMILES:
COCCOC(=O)c1ccc2c(c1)sc(n2)N
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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