(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane

C15H22O2S — CID 22842163

IUPAC(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane
SMILESCC(CCSc1ccccc1)O[C@H]1CCCCO1
InChIInChI=1S/C15H22O2S/c1-13(17-15-9-5-6-11-16-15)10-12-18-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13?,15-/m0/s1
InChIKeyFELVTCCMPWFUDM-WUJWULDRSA-N
MW266.41 g/mol
LogP4.10
Rot. Bonds6

About (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane

(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane (PubChem CID 22842163) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane.

Molecular Properties

Compound Name(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane
PubChem CID22842163
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane
SMILESCC(CCSc1ccccc1)O[C@H]1CCCCO1
InChIInChI=1S/C15H22O2S/c1-13(17-15-9-5-6-11-16-15)10-12-18-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13?,15-/m0/s1
InChIKeyFELVTCCMPWFUDM-WUJWULDRSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane?
The IUPAC name of (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane (CID 22842163) is (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane.
What is the SMILES notation for (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane?
The canonical SMILES for (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane is CC(CCSc1ccccc1)O[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane?
The InChIKey is FELVTCCMPWFUDM-WUJWULDRSA-N. The full InChI is InChI=1S/C15H22O2S/c1-13(17-15-9-5-6-11-16-15)10-12-18-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13?,15-/m0/s1.
What are the key properties of (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane?
(2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane has a molecular weight of 266.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylsulfanylbutan-2-yloxy)oxane is sourced from PubChem (CID 22842163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).