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89295-78-3 | Cyclopentanone, 2-[bis(methylthio)methylene]-3-methyl-
CAS No: 89295-78-3 Catalog No: AG003ZVO MDL No:
Product Description
Catalog Number:
AG003ZVO
Chemical Name:
Cyclopentanone, 2-[bis(methylthio)methylene]-3-methyl-
CAS Number:
89295-78-3
Molecular Formula:
C9H14OS2
Molecular Weight:
202.3369
IUPAC Name:
2-[bis(methylsulfanyl)methylidene]-3-methylcyclopentan-1-one
InChI:
InChI=1S/C9H14OS2/c1-6-4-5-7(10)8(6)9(11-2)12-3/h6H,4-5H2,1-3H3
InChI Key:
YRAXXNHGFZXJMD-UHFFFAOYSA-N
SMILES:
CSC(=C1C(C)CCC1=O)SC
Properties
Complexity:
215
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:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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