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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Related Compounds

Triphenyl phosphite
CID 7540
Phenyl phosphate
CID 12793
O,O,O-Triphenyl phosphorothioate
CID 69011
Diphenyl chlorophosphate
CID 75654
Dibutyl phenyl phosphate
CID 17312
Phosphoric acid, diphenyl ester
CID 13282
Diphenyl methylphosphonate
CID 82027
Diphenyl phosphite
CID 62550
Methyl diphenyl phosphate
CID 8291
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Phosphorodichloridic acid, phenyl ester
CID 13038
Dietholate
CID 36106

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).