200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139426-18-9
139426-18-9 | 1-Hexen-3-one, 5-methoxy-1-(methylsulfinyl)-1-(methylthio)-
CAS No: 139426-18-9 Catalog No: AG001AZM MDL No:
Product Description
Catalog Number:
AG001AZM
Chemical Name:
1-Hexen-3-one, 5-methoxy-1-(methylsulfinyl)-1-(methylthio)-
CAS Number:
139426-18-9
Molecular Formula:
C9H16O3S2
Molecular Weight:
236.3515
IUPAC Name:
5-methoxy-1-methylsulfanyl-1-methylsulfinylhex-1-en-3-one
InChI:
InChI=1S/C9H16O3S2/c1-7(12-2)5-8(10)6-9(13-3)14(4)11/h6-7H,5H2,1-4H3
InChI Key:
CBOLGYRTACHUSF-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C=C(S(=O)C)SC)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.344g/mol
Monoisotopic Mass:
236.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.