2-methylsulfanyl-1-prop-2-enoxypropane

C7H14OS — CID 89197901

IUPAC2-methylsulfanyl-1-prop-2-enoxypropane
SMILESC=CCOCC(C)SC
InChIInChI=1S/C7H14OS/c1-4-5-8-6-7(2)9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyJWOATFNEXKKRFH-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.94
Rot. Bonds5

About 2-methylsulfanyl-1-prop-2-enoxypropane

2-methylsulfanyl-1-prop-2-enoxypropane (PubChem CID 89197901) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methylsulfanyl-1-prop-2-enoxypropane.

Molecular Properties

Compound Name2-methylsulfanyl-1-prop-2-enoxypropane
PubChem CID89197901
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methylsulfanyl-1-prop-2-enoxypropane
SMILESC=CCOCC(C)SC
InChIInChI=1S/C7H14OS/c1-4-5-8-6-7(2)9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyJWOATFNEXKKRFH-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-prop-2-enoxypropane?
The IUPAC name of 2-methylsulfanyl-1-prop-2-enoxypropane (CID 89197901) is 2-methylsulfanyl-1-prop-2-enoxypropane.
What is the SMILES notation for 2-methylsulfanyl-1-prop-2-enoxypropane?
The canonical SMILES for 2-methylsulfanyl-1-prop-2-enoxypropane is C=CCOCC(C)SC.
What is the InChIKey of 2-methylsulfanyl-1-prop-2-enoxypropane?
The InChIKey is JWOATFNEXKKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-5-8-6-7(2)9-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-methylsulfanyl-1-prop-2-enoxypropane?
2-methylsulfanyl-1-prop-2-enoxypropane has a molecular weight of 146.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-prop-2-enoxypropane is sourced from PubChem (CID 89197901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).