Home Carboxys 5-(Benzothiazol-2-yl)-furan-2-carboxylic acid

5-(Benzothiazol-2-yl)-furan-2-carboxylic acid

CAS No.:
32277-89-7
Catalog Number:
AG00CIVY
Molecular Formula:
C12H7NO3S
Molecular Weight:
245.2539
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Product Description
Catalog Number:
AG00CIVY
Chemical Name:
5-(Benzothiazol-2-yl)-furan-2-carboxylic acid
CAS Number:
32277-89-7
Molecular Formula:
C12H7NO3S
Molecular Weight:
245.2539
MDL Number:
MFCD06336110
IUPAC Name:
5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid
InChI:
InChI=1S/C12H7NO3S/c14-12(15)9-6-5-8(16-9)11-13-7-3-1-2-4-10(7)17-11/h1-6H,(H,14,15)
InChI Key:
WMCXRJZXJIMEPS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1nc2c(s1)cccc2
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.015g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.252g/mol
Monoisotopic Mass:
245.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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