1-(methylsulfanylmethoxy)propan-2-one

C5H10O2S — CID 13423932

IUPAC1-(methylsulfanylmethoxy)propan-2-one
SMILESCSCOCC(C)=O
InChIInChI=1S/C5H10O2S/c1-5(6)3-7-4-8-2/h3-4H2,1-2H3
InChIKeyHOIOPKDVXGTVDY-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.91
Rot. Bonds4

About 1-(methylsulfanylmethoxy)propan-2-one

1-(methylsulfanylmethoxy)propan-2-one (PubChem CID 13423932) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-(methylsulfanylmethoxy)propan-2-one.

Molecular Properties

Compound Name1-(methylsulfanylmethoxy)propan-2-one
PubChem CID13423932
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name1-(methylsulfanylmethoxy)propan-2-one
SMILESCSCOCC(C)=O
InChIInChI=1S/C5H10O2S/c1-5(6)3-7-4-8-2/h3-4H2,1-2H3
InChIKeyHOIOPKDVXGTVDY-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethoxy)propan-2-one?
The IUPAC name of 1-(methylsulfanylmethoxy)propan-2-one (CID 13423932) is 1-(methylsulfanylmethoxy)propan-2-one.
What is the SMILES notation for 1-(methylsulfanylmethoxy)propan-2-one?
The canonical SMILES for 1-(methylsulfanylmethoxy)propan-2-one is CSCOCC(C)=O.
What is the InChIKey of 1-(methylsulfanylmethoxy)propan-2-one?
The InChIKey is HOIOPKDVXGTVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(6)3-7-4-8-2/h3-4H2,1-2H3.
What are the key properties of 1-(methylsulfanylmethoxy)propan-2-one?
1-(methylsulfanylmethoxy)propan-2-one has a molecular weight of 134.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethoxy)propan-2-one is sourced from PubChem (CID 13423932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).