1-[ethylsulfanyl(methyl)phosphoryl]oxypropane

C6H15O2PS — CID 102443892

IUPAC1-[ethylsulfanyl(methyl)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)SCC
InChIInChI=1S/C6H15O2PS/c1-4-6-8-9(3,7)10-5-2/h4-6H2,1-3H3
InChIKeyMQJWOHSHUQKXHJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.99
Rot. Bonds5

About 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane

1-[ethylsulfanyl(methyl)phosphoryl]oxypropane (PubChem CID 102443892) has the molecular formula C6H15O2PS and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[ethylsulfanyl(methyl)phosphoryl]oxypropane
PubChem CID102443892
Molecular FormulaC6H15O2PS
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name1-[ethylsulfanyl(methyl)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)SCC
InChIInChI=1S/C6H15O2PS/c1-4-6-8-9(3,7)10-5-2/h4-6H2,1-3H3
InChIKeyMQJWOHSHUQKXHJ-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane?
The IUPAC name of 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane (CID 102443892) is 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane is CCCOP(C)(=O)SCC.
What is the InChIKey of 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane?
The InChIKey is MQJWOHSHUQKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS/c1-4-6-8-9(3,7)10-5-2/h4-6H2,1-3H3.
What are the key properties of 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane?
1-[ethylsulfanyl(methyl)phosphoryl]oxypropane has a molecular weight of 182.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfanyl(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 102443892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).