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Home > Pyridines > 1172749-36-8
1172749-36-8 | 2-(methylthio)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CAS No: 1172749-36-8 Catalog No: AG00HDWK MDL No:MFCD12827453
Product Description
Catalog Number:
AG00HDWK
Chemical Name:
2-(methylthio)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CAS Number:
1172749-36-8
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
MDL Number:
MFCD12827453
IUPAC Name:
2-methylsulfanyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H11N3OS/c1-13-8-10-6-2-3-9-4-5(6)7(12)11-8/h9H,2-4H2,1H3,(H,10,11,12)
InChI Key:
ZPJNCVRBWFZBFA-UHFFFAOYSA-N
SMILES:
CSc1nc2CCNCc2c(=O)[nH]1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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