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18108-78-6 | 6-(ethylthio)pyridin-2(1H)-one
CAS No: 18108-78-6 Catalog No: AG01DVVE MDL No:MFCD28668673
Product Description
Catalog Number:
AG01DVVE
Chemical Name:
6-(ethylthio)pyridin-2(1H)-one
CAS Number:
18108-78-6
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD28668673
IUPAC Name:
6-ethylsulfanyl-1H-pyridin-2-one
InChI:
InChI=1S/C7H9NOS/c1-2-10-7-5-3-4-6(9)8-7/h3-5H,2H2,1H3,(H,8,9)
InChI Key:
WLYGBYLGEZJBEU-UHFFFAOYSA-N
SMILES:
CCSc1cccc(=O)[nH]1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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