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87711-77-1 | 2-Octanone, 3-[bis(methylthio)methylene]-
CAS No: 87711-77-1 Catalog No: AG004NC1 MDL No:
Product Description
Catalog Number:
AG004NC1
Chemical Name:
2-Octanone, 3-[bis(methylthio)methylene]-
CAS Number:
87711-77-1
Molecular Formula:
C11H20OS2
Molecular Weight:
232.4059
IUPAC Name:
3-[bis(methylsulfanyl)methylidene]octan-2-one
InChI:
InChI=1S/C11H20OS2/c1-5-6-7-8-10(9(2)12)11(13-3)14-4/h5-8H2,1-4H3
InChI Key:
GVSBGTHDXOQWKP-UHFFFAOYSA-N
SMILES:
CCCCCC(=C(SC)SC)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.4g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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