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132692-40-1 | 1-Hexen-3-one, 5-methoxy-1,1-bis(methylthio)-
CAS No: 132692-40-1 Catalog No: AG00110W MDL No:
Product Description
Catalog Number:
AG00110W
Chemical Name:
1-Hexen-3-one, 5-methoxy-1,1-bis(methylthio)-
CAS Number:
132692-40-1
Molecular Formula:
C9H16O2S2
Molecular Weight:
220.3521
IUPAC Name:
5-methoxy-1,1-bis(methylsulfanyl)hex-1-en-3-one
InChI:
InChI=1S/C9H16O2S2/c1-7(11-2)5-8(10)6-9(12-3)13-4/h6-7H,5H2,1-4H3
InChI Key:
YSCQFWOPWLDQFE-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C=C(SC)SC)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.345g/mol
Monoisotopic Mass:
220.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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