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Home > Other Heterocycles > 189307-26-4
189307-26-4 | Bicyclo[3.1.1]heptane, 6,6-bis(phenylthio)-
CAS No: 189307-26-4 Catalog No: AG002I89 MDL No:
Product Description
Catalog Number:
AG002I89
Chemical Name:
Bicyclo[3.1.1]heptane, 6,6-bis(phenylthio)-
CAS Number:
189307-26-4
Molecular Formula:
C19H20S2
Molecular Weight:
312.4921
IUPAC Name:
6,6-bis(phenylsulfanyl)bicyclo[3.1.1]heptane
InChI:
InChI=1S/C19H20S2/c1-3-10-17(11-4-1)20-19(15-8-7-9-16(19)14-15)21-18-12-5-2-6-13-18/h1-6,10-13,15-16H,7-9,14H2
InChI Key:
BCZLREZRNYFTIG-UHFFFAOYSA-N
SMILES:
C1CC2CC(C1)C2(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.489g/mol
Monoisotopic Mass:
312.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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