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Home Carboxys 2-Amino-benzothiazole-6-carboxylic acid methyl ester

2-Amino-benzothiazole-6-carboxylic acid methyl ester

CAS No.:
66947-92-0
Catalog Number:
AG00FAOI
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$169
- +
25g
98%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG00FAOI
Chemical Name:
2-Amino-benzothiazole-6-carboxylic acid methyl ester
CAS Number:
66947-92-0
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00468672
IUPAC Name:
methyl 2-amino-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
InChI Key:
DNGZINUIRBDWED-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)sc(n2)N
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. Journal of medicinal chemistry 20090723
Properties