ethane;(3S)-3-methyloxane;sulfane

C8H20OS — CID 158056662

IUPACethane;(3S)-3-methyloxane;sulfane
SMILESCC.C[C@H]1CCCOC1.S
InChIInChI=1S/C6H12O.C2H6.H2S/c1-6-3-2-4-7-5-6;1-2;/h6H,2-5H2,1H3;1-2H3;1H2/t6-;;/m0../s1
InChIKeyFKDFFVQTOBXZDD-ILKKLZGPSA-N
MW164.31 g/mol
LogP2.57
Rot. Bonds

About ethane;(3S)-3-methyloxane;sulfane

ethane;(3S)-3-methyloxane;sulfane (PubChem CID 158056662) has the molecular formula C8H20OS and a molecular weight of 164.31 g/mol. Its IUPAC name is ethane;(3S)-3-methyloxane;sulfane.

Molecular Properties

Compound Nameethane;(3S)-3-methyloxane;sulfane
PubChem CID158056662
Molecular FormulaC8H20OS
Molecular Weight164.31 g/mol
Exact Mass164.12
IUPAC Nameethane;(3S)-3-methyloxane;sulfane
SMILESCC.C[C@H]1CCCOC1.S
InChIInChI=1S/C6H12O.C2H6.H2S/c1-6-3-2-4-7-5-6;1-2;/h6H,2-5H2,1H3;1-2H3;1H2/t6-;;/m0../s1
InChIKeyFKDFFVQTOBXZDD-ILKKLZGPSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyloxane;oxolane
CID 139878979
methylcyclohexane;3-methyloxane
CID 144617317
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
methane;methylcyclobutane;3-methyloxolane
CID 160852925
3-methyloxane;1-methylpiperidine
CID 142590694
(3S)-3-methyloxolane
CID 7857636
ethane;3-methyloxane;2-methylpyrimidine
CID 167576171
ethane;4-methyloxane;3-methyloxolane
CID 170734292
ethane;methylcyclohexane;oxane
CID 143182173
3-methyloxolane;silyloxysilane
CID 173163882
methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
CID 161332742
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methyloxane;sulfane?
The IUPAC name of ethane;(3S)-3-methyloxane;sulfane (CID 158056662) is ethane;(3S)-3-methyloxane;sulfane.
What is the SMILES notation for ethane;(3S)-3-methyloxane;sulfane?
The canonical SMILES for ethane;(3S)-3-methyloxane;sulfane is CC.C[C@H]1CCCOC1.S.
What is the InChIKey of ethane;(3S)-3-methyloxane;sulfane?
The InChIKey is FKDFFVQTOBXZDD-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H12O.C2H6.H2S/c1-6-3-2-4-7-5-6;1-2;/h6H,2-5H2,1H3;1-2H3;1H2/t6-;;/m0../s1.
What are the key properties of ethane;(3S)-3-methyloxane;sulfane?
ethane;(3S)-3-methyloxane;sulfane has a molecular weight of 164.31 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methyloxane;sulfane is sourced from PubChem (CID 158056662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).