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Home Other Building Blocks 3-methyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

3-methyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:
257870-39-6
Catalog Number:
AG019I4X
Molecular Formula:
C11H8N2OS3
Molecular Weight:
280.3890
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Product Description
Catalog Number:
AG019I4X
Chemical Name:
3-methyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
257870-39-6
Molecular Formula:
C11H8N2OS3
Molecular Weight:
280.3890
MDL Number:
MFCD06654929
IUPAC Name:
3-methyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H8N2OS3/c1-13-10(14)8-6(7-3-2-4-16-7)5-17-9(8)12-11(13)15/h2-5H,1H3,(H,12,15)
InChI Key:
CNZOKYUTOACRRW-UHFFFAOYSA-N
SMILES:
Cn1c(S)nc2c(c1=O)c(cs2)c1cccs1
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.98g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.378g/mol
Monoisotopic Mass:
279.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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