5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C10H13O2PS — CID 10105167

IUPAC5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1COP(=S)(c2ccccc2)OC1
InChIInChI=1S/C10H13O2PS/c1-9-7-11-13(14,12-8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyCSMQAMNLOYEXJG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.30
Rot. Bonds1

About 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 10105167) has the molecular formula C10H13O2PS and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID10105167
Molecular FormulaC10H13O2PS
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1COP(=S)(c2ccccc2)OC1
InChIInChI=1S/C10H13O2PS/c1-9-7-11-13(14,12-8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyCSMQAMNLOYEXJG-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.30
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 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 10105167) is 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is CC1COP(=S)(c2ccccc2)OC1.
What is the InChIKey of 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is CSMQAMNLOYEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2PS/c1-9-7-11-13(14,12-8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 228.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 10105167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).