propanoyl chloride;thionyl dichloride

C3H5Cl3O2S — CID 91232879

IUPACpropanoyl chloride;thionyl dichloride
SMILESCCC(=O)Cl.O=S(Cl)Cl
InChIInChI=1S/C3H5ClO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3;
InChIKeyVEKPRAOJXMIEKE-UHFFFAOYSA-N
MW211.50 g/mol
LogP2.20
Rot. Bonds1

About propanoyl chloride;thionyl dichloride

propanoyl chloride;thionyl dichloride (PubChem CID 91232879) has the molecular formula C3H5Cl3O2S and a molecular weight of 211.50 g/mol. Its IUPAC name is propanoyl chloride;thionyl dichloride.

Molecular Properties

Compound Namepropanoyl chloride;thionyl dichloride
PubChem CID91232879
Molecular FormulaC3H5Cl3O2S
Molecular Weight211.50 g/mol
Exact Mass209.91
IUPAC Namepropanoyl chloride;thionyl dichloride
SMILESCCC(=O)Cl.O=S(Cl)Cl
InChIInChI=1S/C3H5ClO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3;
InChIKeyVEKPRAOJXMIEKE-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanoyl chloride;thionyl dichloride?
The IUPAC name of propanoyl chloride;thionyl dichloride (CID 91232879) is propanoyl chloride;thionyl dichloride.
What is the SMILES notation for propanoyl chloride;thionyl dichloride?
The canonical SMILES for propanoyl chloride;thionyl dichloride is CCC(=O)Cl.O=S(Cl)Cl.
What is the InChIKey of propanoyl chloride;thionyl dichloride?
The InChIKey is VEKPRAOJXMIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3;.
What are the key properties of propanoyl chloride;thionyl dichloride?
propanoyl chloride;thionyl dichloride has a molecular weight of 211.50 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl chloride;thionyl dichloride is sourced from PubChem (CID 91232879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).