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Home > Other Heterocycles > 66928-24-3
66928-24-3 | 7-Oxa-2,5-dithiabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS No: 66928-24-3 Catalog No: AG006PSE MDL No:
Product Description
Catalog Number:
AG006PSE
Chemical Name:
7-Oxa-2,5-dithiabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS Number:
66928-24-3
Molecular Formula:
C6H10OS2
Molecular Weight:
162.2730
IUPAC Name:
1,4-dimethyl-7-oxa-2,5-dithiabicyclo[2.2.1]heptane
InChI:
InChI=1S/C6H10OS2/c1-5-3-9-6(2,7-5)4-8-5/h3-4H2,1-2H3
InChI Key:
HKNJBHMKHPWDIN-UHFFFAOYSA-N
SMILES:
CC12SCC(O2)(SC1)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.265g/mol
Monoisotopic Mass:
162.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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