methane;1-(methylsulfanylmethoxy)propane

C9H28OS — CID 162178980

IUPACmethane;1-(methylsulfanylmethoxy)propane
SMILESC.C.C.C.CCCOCSC
InChIInChI=1S/C5H12OS.4CH4/c1-3-4-6-5-7-2;;;;/h3-5H2,1-2H3;4*1H4
InChIKeyZOTOYLKXXMNKPG-UHFFFAOYSA-N
MW184.39 g/mol
LogP4.28
Rot. Bonds4

About methane;1-(methylsulfanylmethoxy)propane

methane;1-(methylsulfanylmethoxy)propane (PubChem CID 162178980) has the molecular formula C9H28OS and a molecular weight of 184.39 g/mol. Its IUPAC name is methane;1-(methylsulfanylmethoxy)propane.

Molecular Properties

Compound Namemethane;1-(methylsulfanylmethoxy)propane
PubChem CID162178980
Molecular FormulaC9H28OS
Molecular Weight184.39 g/mol
Exact Mass184.19
IUPAC Namemethane;1-(methylsulfanylmethoxy)propane
SMILESC.C.C.C.CCCOCSC
InChIInChI=1S/C5H12OS.4CH4/c1-3-4-6-5-7-2;;;;/h3-5H2,1-2H3;4*1H4
InChIKeyZOTOYLKXXMNKPG-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(propoxymethylsulfanylmethoxy)propane
CID 151305638
1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
CID 167220707
N,N-diethyl-2-(methylsulfanylmethoxy)ethanamine
CID 123381764
1-ethoxypropane;methane
CID 158784820
ethane;propane;1-propoxypropane
CID 143757970
methane;1-propoxybutane
CID 162202436
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
triethyl-[2-(2-propoxyethoxy)ethyl]azanium
CID 88980838
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
methane;1-prop-2-enoxypropane
CID 157267338

Frequently Asked Questions

What is the IUPAC name of methane;1-(methylsulfanylmethoxy)propane?
The IUPAC name of methane;1-(methylsulfanylmethoxy)propane (CID 162178980) is methane;1-(methylsulfanylmethoxy)propane.
What is the SMILES notation for methane;1-(methylsulfanylmethoxy)propane?
The canonical SMILES for methane;1-(methylsulfanylmethoxy)propane is C.C.C.C.CCCOCSC.
What is the InChIKey of methane;1-(methylsulfanylmethoxy)propane?
The InChIKey is ZOTOYLKXXMNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS.4CH4/c1-3-4-6-5-7-2;;;;/h3-5H2,1-2H3;4*1H4.
What are the key properties of methane;1-(methylsulfanylmethoxy)propane?
methane;1-(methylsulfanylmethoxy)propane has a molecular weight of 184.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(methylsulfanylmethoxy)propane is sourced from PubChem (CID 162178980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).