1-(2-ethoxyethynylsulfanyl)propane

C7H12OS — CID 135083962

IUPAC1-(2-ethoxyethynylsulfanyl)propane
SMILESCCCSC#COCC
InChIInChI=1S/C7H12OS/c1-3-6-9-7-5-8-4-2/h3-4,6H2,1-2H3
InChIKeyFQYGOIBXRHZOER-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-ethoxyethynylsulfanyl)propane

1-(2-ethoxyethynylsulfanyl)propane (PubChem CID 135083962) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-(2-ethoxyethynylsulfanyl)propane.

Molecular Properties

Compound Name1-(2-ethoxyethynylsulfanyl)propane
PubChem CID135083962
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-(2-ethoxyethynylsulfanyl)propane
SMILESCCCSC#COCC
InChIInChI=1S/C7H12OS/c1-3-6-9-7-5-8-4-2/h3-4,6H2,1-2H3
InChIKeyFQYGOIBXRHZOER-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethynylsulfanyl)propane?
The IUPAC name of 1-(2-ethoxyethynylsulfanyl)propane (CID 135083962) is 1-(2-ethoxyethynylsulfanyl)propane.
What is the SMILES notation for 1-(2-ethoxyethynylsulfanyl)propane?
The canonical SMILES for 1-(2-ethoxyethynylsulfanyl)propane is CCCSC#COCC.
What is the InChIKey of 1-(2-ethoxyethynylsulfanyl)propane?
The InChIKey is FQYGOIBXRHZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-6-9-7-5-8-4-2/h3-4,6H2,1-2H3.
What are the key properties of 1-(2-ethoxyethynylsulfanyl)propane?
1-(2-ethoxyethynylsulfanyl)propane has a molecular weight of 144.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethynylsulfanyl)propane is sourced from PubChem (CID 135083962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).