chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane

C4H6ClO2PS — CID 12010062

IUPACchloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane
SMILESC#CCOP(=S)(Cl)OC
InChIInChI=1S/C4H6ClO2PS/c1-3-4-7-8(5,9)6-2/h1H,4H2,2H3
InChIKeyBUDGMBAFXJJDJF-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.75
Rot. Bonds3

About chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane

chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane (PubChem CID 12010062) has the molecular formula C4H6ClO2PS and a molecular weight of 184.58 g/mol. Its IUPAC name is chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane
PubChem CID12010062
Molecular FormulaC4H6ClO2PS
Molecular Weight184.58 g/mol
Exact Mass183.95
IUPAC Namechloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane
SMILESC#CCOP(=S)(Cl)OC
InChIInChI=1S/C4H6ClO2PS/c1-3-4-7-8(5,9)6-2/h1H,4H2,2H3
InChIKeyBUDGMBAFXJJDJF-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane (CID 12010062) is chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane is C#CCOP(=S)(Cl)OC.
What is the InChIKey of chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane?
The InChIKey is BUDGMBAFXJJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClO2PS/c1-3-4-7-8(5,9)6-2/h1H,4H2,2H3.
What are the key properties of chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane?
chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane has a molecular weight of 184.58 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methoxy-prop-2-ynoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12010062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).