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178753-35-0 | Furan, tetrahydro-2,2,5-trimethyl-3-(phenylthio)-, (3R,5S)-rel-
CAS No: 178753-35-0 Catalog No: AG0026A7 MDL No:
Product Description
Catalog Number:
AG0026A7
Chemical Name:
Furan, tetrahydro-2,2,5-trimethyl-3-(phenylthio)-, (3R,5S)-rel-
CAS Number:
178753-35-0
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
(3S,5R)-2,2,5-trimethyl-3-phenylsulfanyloxolane
InChI:
InChI=1S/C13H18OS/c1-10-9-12(13(2,3)14-10)15-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12+/m1/s1
InChI Key:
YKKAMEMTBQGCNU-PWSUYJOCSA-N
SMILES:
C[C@H]1C[C@H](C(O1)(C)C)Sc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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