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Home > Other Heterocycles > 126742-97-0
126742-97-0 | 1-Thiaspiro[4.4]non-3-ene, 3-(phenylthio)-, 1,1-dioxide
CAS No: 126742-97-0 Catalog No: AG000T6K MDL No:
Product Description
Catalog Number:
AG000T6K
Chemical Name:
1-Thiaspiro[4.4]non-3-ene, 3-(phenylthio)-, 1,1-dioxide
CAS Number:
126742-97-0
Molecular Formula:
C14H16O2S2
Molecular Weight:
280.4056
IUPAC Name:
3-phenylsulfanyl-1λ6-thiaspiro[4.4]non-3-ene 1,1-dioxide
InChI:
InChI=1S/C14H16O2S2/c15-18(16)11-13(10-14(18)8-4-5-9-14)17-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2
InChI Key:
UPZPDPNCWKBPGC-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC(=CC21CCCC2)Sc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.4g/mol
Monoisotopic Mass:
280.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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