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286472-04-6 | 4H-Thiopyrano[2,3-b]pyridin-4-one, 2,3-dihydro-7-methyl-
CAS No: 286472-04-6 Catalog No: AG002VYZ MDL No:
Product Description
Catalog Number:
AG002VYZ
Chemical Name:
4H-Thiopyrano[2,3-b]pyridin-4-one, 2,3-dihydro-7-methyl-
CAS Number:
286472-04-6
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
7-methyl-2,3-dihydrothiopyrano[2,3-b]pyridin-4-one
InChI:
InChI=1S/C9H9NOS/c1-6-2-3-7-8(11)4-5-12-9(7)10-6/h2-3H,4-5H2,1H3
InChI Key:
BTIPVUAENRASAA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)SCCC2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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