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Home Other Building Blocks 2-Thiophenamine, 3-(2-benzothiazolyl)-

2-Thiophenamine, 3-(2-benzothiazolyl)-

CAS No.:
306936-47-0
Catalog Number:
AG0030XN
Molecular Formula:
C11H8N2S2
Molecular Weight:
232.3246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$199
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Product Description
Catalog Number:
AG0030XN
Chemical Name:
2-Thiophenamine, 3-(2-benzothiazolyl)-
CAS Number:
306936-47-0
Molecular Formula:
C11H8N2S2
Molecular Weight:
232.3246
MDL Number:
MFCD02180788
IUPAC Name:
3-(1,3-benzothiazol-2-yl)thiophen-2-amine
InChI:
InChI=1S/C11H8N2S2/c12-10-7(5-6-14-10)11-13-8-3-1-2-4-9(8)15-11/h1-6H,12H2
InChI Key:
AFQFOWKPQKIMPE-UHFFFAOYSA-N
SMILES:
Nc1sccc1c1nc2c(s1)cccc2
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.013g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.319g/mol
Monoisotopic Mass:
232.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Structure-activity relationship studies of a novel series of anthrax lethal factor inhibitors. Bioorganic & medicinal chemistry 20090501
Properties