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16215-14-8 | 1-Propene, 3-(methylsulfonyl)-
CAS No: 16215-14-8 Catalog No: AG001ST9 MDL No:MFCD16295422
Product Description
Catalog Number:
AG001ST9
Chemical Name:
1-Propene, 3-(methylsulfonyl)-
CAS Number:
16215-14-8
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
MDL Number:
MFCD16295422
IUPAC Name:
3-methylsulfonylprop-1-ene
InChI:
InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3
InChI Key:
WOPDMJYIAAXDMN-UHFFFAOYSA-N
SMILES:
C=CCS(=O)(=O)C
NSC Number:
403680
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| In vivo metabolism of diallyl disulphide in the rat: identification of two new metabolites. | Xenobiotica; the fate of foreign compounds in biological systems 20021201 |
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