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Home > Other Heterocycles > 138118-22-6
138118-22-6 | Disulfide, bis[(7,7-dimethylbicyclo[4.1.0]hept-3-en-3-yl)methyl] (9CI)
CAS No: 138118-22-6 Catalog No: AG00180H MDL No:
Product Description
Catalog Number:
AG00180H
Chemical Name:
Disulfide, bis[(7,7-dimethylbicyclo[4.1.0]hept-3-en-3-yl)methyl] (9CI)
CAS Number:
138118-22-6
Molecular Formula:
C20H30S2
Molecular Weight:
334.5822
IUPAC Name:
3-[[(7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl)methyldisulfanyl]methyl]-7,7-dimethylbicyclo[4.1.0]hept-3-ene
InChI:
InChI=1S/C20H30S2/c1-19(2)15-7-5-13(9-17(15)19)11-21-22-12-14-6-8-16-18(10-14)20(16,3)4/h5-6,15-18H,7-12H2,1-4H3
InChI Key:
CZPXUHZPBMOMDF-UHFFFAOYSA-N
SMILES:
CC1(C)C2C1CC(=CC2)CSSCC1=CCC2C(C1)C2(C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.58g/mol
Monoisotopic Mass:
334.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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