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Home > Other Heterocycles > 188674-89-7
188674-89-7 | Bicyclo[2.2.1]heptan-2-one, 3-[bis(methylthio)methylene]-
CAS No: 188674-89-7 Catalog No: AG002H4J MDL No:
Product Description
Catalog Number:
AG002H4J
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-[bis(methylthio)methylene]-
CAS Number:
188674-89-7
Molecular Formula:
C10H14OS2
Molecular Weight:
214.3476
IUPAC Name:
3-[bis(methylsulfanyl)methylidene]bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H14OS2/c1-12-10(13-2)8-6-3-4-7(5-6)9(8)11/h6-7H,3-5H2,1-2H3
InChI Key:
CCDGWCRNTPBXAM-UHFFFAOYSA-N
SMILES:
CSC(=C1C2CCC(C1=O)C2)SC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.341g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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