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Home Aminos Methyl 2-amino-5-(thiocyanato)benzoate

Methyl 2-amino-5-(thiocyanato)benzoate

CAS No.:
117324-16-0
Catalog Number:
AG009KIE
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$657
- +
10g
95%
In Stock USA
United States
$1119
- +
Product Description
Catalog Number:
AG009KIE
Chemical Name:
Methyl 2-amino-5-(thiocyanato)benzoate
CAS Number:
117324-16-0
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD03176138
IUPAC Name:
methyl 2-amino-5-thiocyanatobenzoate
InChI:
InChI=1S/C9H8N2O2S/c1-13-9(12)7-4-6(14-5-10)2-3-8(7)11/h2-4H,11H2,1H3
InChI Key:
RGPZBRDJSOXWJT-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c(c1)C(=O)OC)N
Properties
Complexity:
261  
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:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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