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Home > Other Heterocycles > 7127-65-3
7127-65-3 | Spiro[1,3-benzodithiole-2,1'-cyclohexane]
CAS No: 7127-65-3 Catalog No: AG0069IX MDL No:
Product Description
Catalog Number:
AG0069IX
Chemical Name:
Spiro[1,3-benzodithiole-2,1'-cyclohexane]
CAS Number:
7127-65-3
Molecular Formula:
C12H14S2
Molecular Weight:
222.3696
IUPAC Name:
spiro[1,3-benzodithiole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H14S2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
LYNHYPSTYGUFOR-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)Sc1c(S2)cccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.364g/mol
Monoisotopic Mass:
222.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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