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89295-83-0 | Cyclohexanone, 2,6-bis[bis(methylthio)methylene]-3-methyl-
CAS No: 89295-83-0 Catalog No: AG003ZVM MDL No:
Product Description
Catalog Number:
AG003ZVM
Chemical Name:
Cyclohexanone, 2,6-bis[bis(methylthio)methylene]-3-methyl-
CAS Number:
89295-83-0
Molecular Formula:
C13H20OS4
Molecular Weight:
320.5573
IUPAC Name:
2,6-bis[bis(methylsulfanyl)methylidene]-3-methylcyclohexan-1-one
InChI:
InChI=1S/C13H20OS4/c1-8-6-7-9(12(15-2)16-3)11(14)10(8)13(17-4)18-5/h8H,6-7H2,1-5H3
InChI Key:
SIQHUKSOPTVVHT-UHFFFAOYSA-N
SMILES:
CSC(=C1CCC(C(=C(SC)SC)C1=O)C)SC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.542g/mol
Monoisotopic Mass:
320.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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