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Home > Other Heterocycles > 141523-78-6
141523-78-6 | 2-Oxa-6,10-dithiaspiro[4.5]decan-1-ol, 3-methyl-1-propyl-
CAS No: 141523-78-6 Catalog No: AG001GK8 MDL No:
Product Description
Catalog Number:
AG001GK8
Chemical Name:
2-Oxa-6,10-dithiaspiro[4.5]decan-1-ol, 3-methyl-1-propyl-
CAS Number:
141523-78-6
Molecular Formula:
C11H20O2S2
Molecular Weight:
248.4053
IUPAC Name:
3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol
InChI:
InChI=1S/C11H20O2S2/c1-3-5-10(12)11(8-9(2)13-10)14-6-4-7-15-11/h9,12H,3-8H2,1-2H3
InChI Key:
KGJKGRYAMTTXTG-UHFFFAOYSA-N
SMILES:
CCCC1(O)OC(CC21SCCCS2)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.399g/mol
Monoisotopic Mass:
248.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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