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Home > Pyridines > 937599-68-3
937599-68-3 | 1-ethyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
CAS No: 937599-68-3 Catalog No: AG00J77R MDL No:MFCD08555733
Product Description
Catalog Number:
AG00J77R
Chemical Name:
1-ethyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
CAS Number:
937599-68-3
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
MDL Number:
MFCD08555733
IUPAC Name:
1-ethyl-5,7-dimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H13N3OS/c1-4-14-9-8(10(15)13-11(14)16)6(2)5-7(3)12-9/h5H,4H2,1-3H3,(H,13,15,16)
InChI Key:
AIRQBJQNEUVBLH-UHFFFAOYSA-N
SMILES:
CCn1c(S)nc(=O)c2c1nc(C)cc2C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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