Home Halogens 2-(5-bromothiophen-2-yl)-1,3-benzothiazole

2-(5-bromothiophen-2-yl)-1,3-benzothiazole

CAS No.:
198566-03-9
Catalog Number:
AG019OYM
Molecular Formula:
C11H6BrNS2
Molecular Weight:
296.2060
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Product Description
Catalog Number:
AG019OYM
Chemical Name:
2-(5-bromothiophen-2-yl)-1,3-benzothiazole
CAS Number:
198566-03-9
Molecular Formula:
C11H6BrNS2
Molecular Weight:
296.2060
MDL Number:
MFCD03150263
IUPAC Name:
2-(5-bromothiophen-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H6BrNS2/c12-10-6-5-9(14-10)11-13-7-3-1-2-4-8(7)15-11/h1-6H
InChI Key:
XTBLWPNBTNYBTN-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1nc2c(s1)cccc2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.913g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.2g/mol
Monoisotopic Mass:
294.913g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
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
Properties