chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane

C7H16ClO2PS — CID 22129496

IUPACchloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC(C)(C)C
InChIInChI=1S/C7H16ClO2PS/c1-5-9-11(8,12)10-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyLWUBVKIEWLPMQQ-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.55
Rot. Bonds4

About chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane

chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane (PubChem CID 22129496) has the molecular formula C7H16ClO2PS and a molecular weight of 230.70 g/mol. Its IUPAC name is chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
PubChem CID22129496
Molecular FormulaC7H16ClO2PS
Molecular Weight230.70 g/mol
Exact Mass230.03
IUPAC Namechloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC(C)(C)C
InChIInChI=1S/C7H16ClO2PS/c1-5-9-11(8,12)10-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyLWUBVKIEWLPMQQ-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.55
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 chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane (CID 22129496) is chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)OCC(C)(C)C.
What is the InChIKey of chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is LWUBVKIEWLPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClO2PS/c1-5-9-11(8,12)10-6-7(2,3)4/h5-6H2,1-4H3.
What are the key properties of chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane?
chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 230.70 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 22129496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).