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Home > Pyridines > 1020717-37-6
1020717-37-6 | 2-Methyl-4-(1-oxo-hexahydro-thiopyran-4-yl)-pyridine
CAS No: 1020717-37-6 Catalog No: AG01F8E0 MDL No:MFCD06637785
Product Description
Catalog Number:
AG01F8E0
Chemical Name:
2-Methyl-4-(1-oxo-hexahydro-thiopyran-4-yl)-pyridine
CAS Number:
1020717-37-6
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
MDL Number:
MFCD06637785
IUPAC Name:
4-(2-methylpyridin-4-yl)thiane 1-oxide
InChI:
InChI=1S/C11H15NOS/c1-9-8-11(2-5-12-9)10-3-6-14(13)7-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChI Key:
UMWYYDUKZAQIAD-UHFFFAOYSA-N
SMILES:
O=S1CCC(CC1)c1ccnc(c1)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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