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Home Sulfos 2-Amino-6-(methylsulfonyl)benzothiazole

2-Amino-6-(methylsulfonyl)benzothiazole

CAS No.:
17557-67-4
Catalog Number:
AG002124
Molecular Formula:
C8H8N2O2S2
Molecular Weight:
228.2913
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$23
- +
25g
98%
In Stock USA
United States
$79
- +
100g
98%
In Stock USA
United States
$237
- +
Product Description
Catalog Number:
AG002124
Chemical Name:
2-Amino-6-(methylsulfonyl)benzothiazole
CAS Number:
17557-67-4
Molecular Formula:
C8H8N2O2S2
Molecular Weight:
228.2913
MDL Number:
MFCD00179133
IUPAC Name:
6-methylsulfonyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChI Key:
ZYHNHJAMVNINSY-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)cc(cc2)S(=O)(=O)C
EC Number:
241-537-2
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.284g/mol
Monoisotopic Mass:
228.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
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
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Zinc complexes of benzothiazole-derived Schiff bases with antibacterial activity. Journal of enzyme inhibition and medicinal chemistry 20030601
Biological evaluation of hepatitis C virus helicase inhibitors. Bioorganic & medicinal chemistry letters 20010709
Properties