(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane

C12H22O3S — CID 99838768

IUPAC(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
SMILESC1CC[C@H](OCCSC[C@@H]2CCCO2)OC1
InChIInChI=1S/C12H22O3S/c1-2-6-14-12(5-1)15-8-9-16-10-11-4-3-7-13-11/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeyUSOWFRVLATZSBK-RYUDHWBXSA-N
MW246.37 g/mol
LogP2.44
Rot. Bonds6

About (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane

(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane (PubChem CID 99838768) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
PubChem CID99838768
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
SMILESC1CC[C@H](OCCSC[C@@H]2CCCO2)OC1
InChIInChI=1S/C12H22O3S/c1-2-6-14-12(5-1)15-8-9-16-10-11-4-3-7-13-11/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeyUSOWFRVLATZSBK-RYUDHWBXSA-N
XLogP2.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane?
The IUPAC name of (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane (CID 99838768) is (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane.
What is the SMILES notation for (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane?
The canonical SMILES for (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane is C1CC[C@H](OCCSC[C@@H]2CCCO2)OC1.
What is the InChIKey of (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane?
The InChIKey is USOWFRVLATZSBK-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22O3S/c1-2-6-14-12(5-1)15-8-9-16-10-11-4-3-7-13-11/h11-12H,1-10H2/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane?
(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane has a molecular weight of 246.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane is sourced from PubChem (CID 99838768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).