methane;1-(methylsulfanylmethoxy)propane

C7H20OS — CID 158472752

IUPACmethane;1-(methylsulfanylmethoxy)propane
SMILESC.C.CCCOCSC
InChIInChI=1S/C5H12OS.2CH4/c1-3-4-6-5-7-2;;/h3-5H2,1-2H3;2*1H4
InChIKeyHGNYLYDAZAEELP-UHFFFAOYSA-N
MW152.30 g/mol
LogP3.01
Rot. Bonds4

About methane;1-(methylsulfanylmethoxy)propane

methane;1-(methylsulfanylmethoxy)propane (PubChem CID 158472752) has the molecular formula C7H20OS and a molecular weight of 152.30 g/mol. Its IUPAC name is methane;1-(methylsulfanylmethoxy)propane.

Molecular Properties

Compound Namemethane;1-(methylsulfanylmethoxy)propane
PubChem CID158472752
Molecular FormulaC7H20OS
Molecular Weight152.30 g/mol
Exact Mass152.12
IUPAC Namemethane;1-(methylsulfanylmethoxy)propane
SMILESC.C.CCCOCSC
InChIInChI=1S/C5H12OS.2CH4/c1-3-4-6-5-7-2;;/h3-5H2,1-2H3;2*1H4
InChIKeyHGNYLYDAZAEELP-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.30
LogP ≤ 53.01
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

O-propyl methylsulfanylmethanethioate
CID 10877300
O-propyl methanethioate
CID 20426952
Ethoxymethylsulfanylmethoxyethane
CID 15040655
1-(Butoxymethylsulfanylmethoxy)butane
CID 15040656
Propoxymethanethiol
CID 19988566
Methylsulfanylmethoxyethane
CID 23468386
2-[(Methylsulfanyl)methoxy]propane
CID 53690082
1-(Methylsulfanylmethoxy)propane
CID 54092308
1-[(Methylsulfanyl)methoxy]butane
CID 71391532
Lithium 1-(methylsulfanylmethoxy)propane
CID 85776074
Dimethyl(propoxy)sulfanium
CID 87072677
Ethoxymethyl(dimethyl)sulfanium
CID 87508604

Frequently Asked Questions

What is the IUPAC name of methane;1-(methylsulfanylmethoxy)propane?
The IUPAC name of methane;1-(methylsulfanylmethoxy)propane (CID 158472752) 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.CCCOCSC.
What is the InChIKey of methane;1-(methylsulfanylmethoxy)propane?
The InChIKey is HGNYLYDAZAEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS.2CH4/c1-3-4-6-5-7-2;;/h3-5H2,1-2H3;2*1H4.
What are the key properties of methane;1-(methylsulfanylmethoxy)propane?
methane;1-(methylsulfanylmethoxy)propane has a molecular weight of 152.30 g/mol, XLogP of 3.01, 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 158472752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).