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Home > Fluorides > 917749-81-6
917749-81-6 | 2-(4-Fluoro-phenyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-4-thiol
CAS No: 917749-81-6 Catalog No: AG01EZ7R MDL No:
Product Description
Catalog Number:
AG01EZ7R
Chemical Name:
2-(4-Fluoro-phenyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-4-thiol
CAS Number:
917749-81-6
Molecular Formula:
C16H13FN2S2
Molecular Weight:
316.4162
IUPAC Name:
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C16H13FN2S2/c17-10-7-5-9(6-8-10)14-18-15(20)13-11-3-1-2-4-12(11)21-16(13)19-14/h5-8H,1-4H2,(H,18,19,20)
InChI Key:
AQLAZURBGNRHCF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(S)c2c(n1)sc1c2CCCC1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.412g/mol
Monoisotopic Mass:
316.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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