2-(2-methoxyethylsulfanyl)propane

C6H14OS — CID 15084477

IUPAC2-(2-methoxyethylsulfanyl)propane
SMILESCOCCSC(C)C
InChIInChI=1S/C6H14OS/c1-6(2)8-5-4-7-3/h6H,4-5H2,1-3H3
InChIKeyOGHAKMNXSOMPNI-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-methoxyethylsulfanyl)propane

2-(2-methoxyethylsulfanyl)propane (PubChem CID 15084477) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)propane.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)propane
PubChem CID15084477
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-(2-methoxyethylsulfanyl)propane
SMILESCOCCSC(C)C
InChIInChI=1S/C6H14OS/c1-6(2)8-5-4-7-3/h6H,4-5H2,1-3H3
InChIKeyOGHAKMNXSOMPNI-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)propane?
The IUPAC name of 2-(2-methoxyethylsulfanyl)propane (CID 15084477) is 2-(2-methoxyethylsulfanyl)propane.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)propane?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)propane is COCCSC(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)propane?
The InChIKey is OGHAKMNXSOMPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(2)8-5-4-7-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)propane?
2-(2-methoxyethylsulfanyl)propane has a molecular weight of 134.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)propane is sourced from PubChem (CID 15084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).