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Home > Other Heterocycles > 144962-41-4
144962-41-4 | 2-Oxa-6,10-dithiaspiro[4.5]decan-3-ol, 1-phenyl-
CAS No: 144962-41-4 Catalog No: AG001KEX MDL No:
Product Description
Catalog Number:
AG001KEX
Chemical Name:
2-Oxa-6,10-dithiaspiro[4.5]decan-3-ol, 1-phenyl-
CAS Number:
144962-41-4
Molecular Formula:
C13H16O2S2
Molecular Weight:
268.3949
IUPAC Name:
1-phenyl-2-oxa-6,10-dithiaspiro[4.5]decan-3-ol
InChI:
InChI=1S/C13H16O2S2/c14-11-9-13(16-7-4-8-17-13)12(15-11)10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9H2
InChI Key:
NJWKMLJJPDWGQB-UHFFFAOYSA-N
SMILES:
OC1OC(C2(C1)SCCCS2)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.389g/mol
Monoisotopic Mass:
268.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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