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Home > Other Heterocycles > 67690-80-6
67690-80-6 | 1,4-Dithiaspiro[4.5]dec-6-ene, 7,9,9-trimethyl-8-methylene-
CAS No: 67690-80-6 Catalog No: AG005QM1 MDL No:
Product Description
Catalog Number:
AG005QM1
Chemical Name:
1,4-Dithiaspiro[4.5]dec-6-ene, 7,9,9-trimethyl-8-methylene-
CAS Number:
67690-80-6
Molecular Formula:
C12H18S2
Molecular Weight:
226.4013
IUPAC Name:
7,9,9-trimethyl-8-methylidene-1,4-dithiaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C12H18S2/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2/h7H,2,5-6,8H2,1,3-4H3
InChI Key:
MRFQXBWJLYNZHA-UHFFFAOYSA-N
SMILES:
CC1=CC2(SCCS2)CC(C1=C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.396g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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