5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide

C5H11O3PS — CID 23413570

IUPAC5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCSP1(=O)OCC(C)CO1
InChIInChI=1S/C5H11O3PS/c1-5-3-7-9(6,10-2)8-4-5/h5H,3-4H2,1-2H3
InChIKeyUBMYZOPLSFQPJQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.14
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide

5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23413570) has the molecular formula C5H11O3PS and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23413570
Molecular FormulaC5H11O3PS
Molecular Weight182.18 g/mol
Exact Mass182.02
IUPAC Name5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCSP1(=O)OCC(C)CO1
InChIInChI=1S/C5H11O3PS/c1-5-3-7-9(6,10-2)8-4-5/h5H,3-4H2,1-2H3
InChIKeyUBMYZOPLSFQPJQ-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23413570) is 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide is CSP1(=O)OCC(C)CO1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is UBMYZOPLSFQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3PS/c1-5-3-7-9(6,10-2)8-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide?
5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 182.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23413570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).