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Home > Other Heterocycles > 88362-98-5
88362-98-5 | Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane], 4,7,7-trimethyl-
CAS No: 88362-98-5 Catalog No: AG004J44 MDL No:
Product Description
Catalog Number:
AG004J44
Chemical Name:
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane], 4,7,7-trimethyl-
CAS Number:
88362-98-5
Molecular Formula:
C12H20S2
Molecular Weight:
228.4172
IUPAC Name:
1',7',7'-trimethylspiro[1,3-dithiolane-2,3'-bicyclo[2.2.1]heptane]
InChI:
InChI=1S/C12H20S2/c1-10(2)9-4-5-11(10,3)8-12(9)13-6-7-14-12/h9H,4-8H2,1-3H3
InChI Key:
JCNKYDJPEVWCIK-UHFFFAOYSA-N
SMILES:
CC1(C)C2CCC1(C)CC12SCCS1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.412g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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