(2R)-2-(ethylsulfanylmethyl)oxane

C8H16OS — CID 154221143

IUPAC(2R)-2-(ethylsulfanylmethyl)oxane
SMILESCCSC[C@H]1CCCCO1
InChIInChI=1S/C8H16OS/c1-2-10-7-8-5-3-4-6-9-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyTZNSWEFAOFUKKL-MRVPVSSYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-(ethylsulfanylmethyl)oxane

(2R)-2-(ethylsulfanylmethyl)oxane (PubChem CID 154221143) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2R)-2-(ethylsulfanylmethyl)oxane.

Molecular Properties

Compound Name(2R)-2-(ethylsulfanylmethyl)oxane
PubChem CID154221143
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2R)-2-(ethylsulfanylmethyl)oxane
SMILESCCSC[C@H]1CCCCO1
InChIInChI=1S/C8H16OS/c1-2-10-7-8-5-3-4-6-9-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyTZNSWEFAOFUKKL-MRVPVSSYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 106495349
ethanol;oxan-2-ylmethanol
CID 66900182
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
tributyl(oxan-2-ylmethyl)germane
CID 12036528
(2R)-2-ethyloxolane
CID 641529
1,2-bis(ethylsulfanylmethyl)cyclohexane
CID 69353267
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylsulfanylmethyl)oxane?
The IUPAC name of (2R)-2-(ethylsulfanylmethyl)oxane (CID 154221143) is (2R)-2-(ethylsulfanylmethyl)oxane.
What is the SMILES notation for (2R)-2-(ethylsulfanylmethyl)oxane?
The canonical SMILES for (2R)-2-(ethylsulfanylmethyl)oxane is CCSC[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-(ethylsulfanylmethyl)oxane?
The InChIKey is TZNSWEFAOFUKKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-10-7-8-5-3-4-6-9-8/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(ethylsulfanylmethyl)oxane?
(2R)-2-(ethylsulfanylmethyl)oxane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylsulfanylmethyl)oxane is sourced from PubChem (CID 154221143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).