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Home > Other Heterocycles > 824940-78-5
824940-78-5 | 1,4-Dioxaspiro[4.4]nonane, 7-methyl-7-[(phenylthio)methyl]-, (7S)-
CAS No: 824940-78-5 Catalog No: AG004VD5 MDL No:
Product Description
Catalog Number:
AG004VD5
Chemical Name:
1,4-Dioxaspiro[4.4]nonane, 7-methyl-7-[(phenylthio)methyl]-, (7S)-
CAS Number:
824940-78-5
Molecular Formula:
C15H20O2S
Molecular Weight:
264.3831
IUPAC Name:
(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C15H20O2S/c1-14(12-18-13-5-3-2-4-6-13)7-8-15(11-14)16-9-10-17-15/h2-6H,7-12H2,1H3/t14-/m0/s1
InChI Key:
RPQCVSWIOHDDMM-AWEZNQCLSA-N
SMILES:
C[C@@]1(CCC2(C1)OCCO2)CSc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.383g/mol
Monoisotopic Mass:
264.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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