Home Other Building Blocks 5-(4-fluorophenyl)thieno[2,3-d]pyrimidine-4-thiol

5-(4-fluorophenyl)thieno[2,3-d]pyrimidine-4-thiol

CAS No.:
356569-50-1
Catalog Number:
AG019J3Q
Molecular Formula:
C12H7FN2S2
Molecular Weight:
262.3258
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Product Description
Catalog Number:
AG019J3Q
Chemical Name:
5-(4-fluorophenyl)thieno[2,3-d]pyrimidine-4-thiol
CAS Number:
356569-50-1
Molecular Formula:
C12H7FN2S2
Molecular Weight:
262.3258
MDL Number:
MFCD04623502
IUPAC Name:
5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C12H7FN2S2/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChI Key:
PLUJMBLLOVCSLR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1csc2c1c(S)ncn2
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.003g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.32g/mol
Monoisotopic Mass:
262.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties