3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid


Chemical Name: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
CAS Number: 329907-28-0
Product Number: AG00C6I3(AGN-PC-0K6IWI)
Synonyms:
MDL No: MFCD02654497
Molecular Formula: C16H14N2O2S2
Molecular Weight: 330.4246

Identification/Properties


Computed Properties
Molecular Weight:
330.42g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
330.05g/mol
Monoisotopic Mass:
330.05g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
388
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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