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89295-80-7 | Cyclopentanone, 2,5-bis[bis(methylthio)methylene]-3-methyl-
CAS No: 89295-80-7 Catalog No: AG0040DB MDL No:
Product Description
Catalog Number:
AG0040DB
Chemical Name:
Cyclopentanone, 2,5-bis[bis(methylthio)methylene]-3-methyl-
CAS Number:
89295-80-7
Molecular Formula:
C12H18OS4
Molecular Weight:
306.5307
IUPAC Name:
2,5-bis[bis(methylsulfanyl)methylidene]-3-methylcyclopentan-1-one
InChI:
InChI=1S/C12H18OS4/c1-7-6-8(11(14-2)15-3)10(13)9(7)12(16-4)17-5/h7H,6H2,1-5H3
InChI Key:
KHAKXOGVSBTPNI-UHFFFAOYSA-N
SMILES:
CSC(=C1CC(C(=C(SC)SC)C1=O)C)SC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.515g/mol
Monoisotopic Mass:
306.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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