1-(methylsulfanylmethoxy)propane

C5H12OS — CID 54092308

IUPAC1-(methylsulfanylmethoxy)propane
SMILESCCCOCSC
InChIInChI=1S/C5H12OS/c1-3-4-6-5-7-2/h3-5H2,1-2H3
InChIKeyFXJPRPGEXJIRJF-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.73
Rot. Bonds4

About 1-(methylsulfanylmethoxy)propane

1-(methylsulfanylmethoxy)propane (PubChem CID 54092308) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 1-(methylsulfanylmethoxy)propane.

Molecular Properties

Compound Name1-(methylsulfanylmethoxy)propane
PubChem CID54092308
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name1-(methylsulfanylmethoxy)propane
SMILESCCCOCSC
InChIInChI=1S/C5H12OS/c1-3-4-6-5-7-2/h3-5H2,1-2H3
InChIKeyFXJPRPGEXJIRJF-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.73
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

3-Methoxy-1-(methylthio)-1-propyne
CID 11286459
O-Ethyl S-methyl carbonodithioate
CID 234029
O-butyl S-methyl dithiocarbonate
CID 10583165
O-propyl methylsulfanylmethanethioate
CID 10877300
O-propyl methanethioate
CID 20426952
1-Fluoro-1-(methylsulfanylmethoxy)ethane
CID 156262673
Butoxymethanethiol
CID 12820080
1-[(Ethylsulfanyl)methoxy]propane
CID 13115295
3-(Methylsulfanylmethoxy)prop-1-yne
CID 14320978
Ethoxymethylsulfanylmethoxyethane
CID 15040655
Propoxymethanethiol
CID 19988566
O-butyl methanethioate
CID 20426961

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethoxy)propane?
The IUPAC name of 1-(methylsulfanylmethoxy)propane (CID 54092308) is 1-(methylsulfanylmethoxy)propane.
What is the SMILES notation for 1-(methylsulfanylmethoxy)propane?
The canonical SMILES for 1-(methylsulfanylmethoxy)propane is CCCOCSC.
What is the InChIKey of 1-(methylsulfanylmethoxy)propane?
The InChIKey is FXJPRPGEXJIRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-3-4-6-5-7-2/h3-5H2,1-2H3.
What are the key properties of 1-(methylsulfanylmethoxy)propane?
1-(methylsulfanylmethoxy)propane has a molecular weight of 120.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethoxy)propane is sourced from PubChem (CID 54092308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).