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Home > Other Heterocycles > 77419-23-9
77419-23-9 | Bicyclo[3.2.1]octan-3-one, 2,2-bis(methylthio)-
CAS No: 77419-23-9 Catalog No: AG005BDU MDL No:
Product Description
Catalog Number:
AG005BDU
Chemical Name:
Bicyclo[3.2.1]octan-3-one, 2,2-bis(methylthio)-
CAS Number:
77419-23-9
Molecular Formula:
C10H16OS2
Molecular Weight:
216.3634
IUPAC Name:
2,2-bis(methylsulfanyl)bicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C10H16OS2/c1-12-10(13-2)8-4-3-7(5-8)6-9(10)11/h7-8H,3-6H2,1-2H3
InChI Key:
PTNSPHXAQVDQIL-UHFFFAOYSA-N
SMILES:
CSC1(SC)C2CCC(C2)CC1=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.357g/mol
Monoisotopic Mass:
216.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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