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116145-43-8 | 5-Hexen-2-one, 3-[bis(methylthio)methylene]-
CAS No: 116145-43-8 Catalog No: AG000BQW MDL No:
Product Description
Catalog Number:
AG000BQW
Chemical Name:
5-Hexen-2-one, 3-[bis(methylthio)methylene]-
CAS Number:
116145-43-8
Molecular Formula:
C9H14OS2
Molecular Weight:
202.3369
IUPAC Name:
3-[bis(methylsulfanyl)methylidene]hex-5-en-2-one
InChI:
InChI=1S/C9H14OS2/c1-5-6-8(7(2)10)9(11-3)12-4/h5H,1,6H2,2-4H3
InChI Key:
GISYQWKMTPXHRU-UHFFFAOYSA-N
SMILES:
C=CCC(=C(SC)SC)C(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.33g/mol
Monoisotopic Mass:
202.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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