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68192-56-3 | 3,3-bis(methylsulfanyl)-1-(pyridin-3-yl)prop-2-en-1-one
CAS No: 68192-56-3 Catalog No: AG01A9J8 MDL No:MFCD16622106
Product Description
Catalog Number:
AG01A9J8
Chemical Name:
3,3-bis(methylsulfanyl)-1-(pyridin-3-yl)prop-2-en-1-one
CAS Number:
68192-56-3
Molecular Formula:
C10H11NOS2
Molecular Weight:
225.3304
MDL Number:
MFCD16622106
IUPAC Name:
3,3-bis(methylsulfanyl)-1-pyridin-3-ylprop-2-en-1-one
InChI:
InChI=1S/C10H11NOS2/c1-13-10(14-2)6-9(12)8-4-3-5-11-7-8/h3-7H,1-2H3
InChI Key:
RERQKHGHVWXMAV-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1cccnc1)SC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.324g/mol
Monoisotopic Mass:
225.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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