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Home Aminos S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

CAS No.:
80756-85-0
Catalog Number:
AG003CPR
Molecular Formula:
C13H10N4O2S3
Molecular Weight:
350.4391
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$24
- +
100g
95%
In Stock USA
United States
$63
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003CPR
Chemical Name:
S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
CAS Number:
80756-85-0
Molecular Formula:
C13H10N4O2S3
Molecular Weight:
350.4391
MDL Number:
MFCD00071547
IUPAC Name:
S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
InChI:
InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-
InChI Key:
COFDRZLHVALCDU-YVLHZVERSA-N
SMILES:
CO/N=C(/c1csc(n1)N)\C(=O)Sc1nc2c(s1)cccc2
UNII:
96SMK1EX8X
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
349.997g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.429g/mol
Monoisotopic Mass:
349.997g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
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