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Home > Other Heterocycles > 83711-04-0
83711-04-0 | Bicyclo[3.1.0]hexane, 6,6-bis(phenylthio)-
CAS No: 83711-04-0 Catalog No: AG0056BE MDL No:
Product Description
Catalog Number:
AG0056BE
Chemical Name:
Bicyclo[3.1.0]hexane, 6,6-bis(phenylthio)-
CAS Number:
83711-04-0
Molecular Formula:
C18H18S2
Molecular Weight:
298.4655
IUPAC Name:
6,6-bis(phenylsulfanyl)bicyclo[3.1.0]hexane
InChI:
InChI=1S/C18H18S2/c1-3-8-14(9-4-1)19-18(16-12-7-13-17(16)18)20-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChI Key:
NNFBANWGQXOWSA-UHFFFAOYSA-N
SMILES:
C1CC2C(C1)C2(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.462g/mol
Monoisotopic Mass:
298.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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