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Home Other Building Blocks 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)benzoic acid

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)benzoic acid

CAS No.:
726151-17-3
Catalog Number:
AG019HSN
Molecular Formula:
C15H12N2O2S2
Molecular Weight:
316.3980
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Product Description
Catalog Number:
AG019HSN
Chemical Name:
2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)benzoic acid
CAS Number:
726151-17-3
Molecular Formula:
C15H12N2O2S2
Molecular Weight:
316.3980
MDL Number:
MFCD03964551
IUPAC Name:
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C15H12N2O2S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-11-6-4-3-5-10(11)15(18)19/h3-7H,1-2H3,(H,18,19)
InChI Key:
TZPXEPYUAQIFRO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Sc1ncnc2c1c(C)c(s2)C
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.034g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.393g/mol
Monoisotopic Mass:
316.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
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