2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C9H11O3PS — CID 13308395

IUPAC2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESS=P1(Oc2ccccc2)OCCCO1
InChIInChI=1S/C9H11O3PS/c14-13(10-7-4-8-11-13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyWOBJDSMXDKQECN-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.73
Rot. Bonds2

About 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 13308395) has the molecular formula C9H11O3PS and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID13308395
Molecular FormulaC9H11O3PS
Molecular Weight230.22 g/mol
Exact Mass230.02
IUPAC Name2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESS=P1(Oc2ccccc2)OCCCO1
InChIInChI=1S/C9H11O3PS/c14-13(10-7-4-8-11-13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyWOBJDSMXDKQECN-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.73
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 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 13308395) is 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is S=P1(Oc2ccccc2)OCCCO1.
What is the InChIKey of 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is WOBJDSMXDKQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3PS/c14-13(10-7-4-8-11-13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 230.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 13308395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).