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Home > Pyridines > 861239-58-9
861239-58-9 | 5,6-dimethyl-3-(pyridin-2-ylmethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS No: 861239-58-9 Catalog No: AG019V76 MDL No:MFCD04969630
Product Description
Catalog Number:
AG019V76
Chemical Name:
5,6-dimethyl-3-(pyridin-2-ylmethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
861239-58-9
Molecular Formula:
C14H13N3OS2
Molecular Weight:
303.4025
MDL Number:
MFCD04969630
IUPAC Name:
5,6-dimethyl-3-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C14H13N3OS2/c1-8-9(2)20-12-11(8)13(18)17(14(19)16-12)7-10-5-3-4-6-15-10/h3-6H,7H2,1-2H3,(H,16,19)
InChI Key:
IMJOGNALLHYNPX-UHFFFAOYSA-N
SMILES:
Cc1sc2c(c1C)c(=O)n(c(n2)S)Cc1ccccn1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.398g/mol
Monoisotopic Mass:
303.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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