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Home Nitros 2-Amino-6-nitrobenzothiazole

2-Amino-6-nitrobenzothiazole

CAS No.:
6285-57-0
Catalog Number:
AG003NBC
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG003NBC
Chemical Name:
2-Amino-6-nitrobenzothiazole
CAS Number:
6285-57-0
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD00005786
IUPAC Name:
6-nitro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
InChI Key:
GPNAVOJCQIEKQF-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
EC Number:
228-513-7
UNII:
4321510DG9
UN Number:
2811
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
2-Amino-6-nitro-1,3-benzothia-zol-3-ium hydrogen sulfate. Acta crystallographica. Section E, Structure reports online 20110801
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole. Acta crystallographica. Section C, Crystal structure communications 20011001
Properties