propanamide;thionyl dichloride

C3H7Cl2NO2S — CID 161371403

IUPACpropanamide;thionyl dichloride
SMILESCCC(N)=O.O=S(Cl)Cl
InChIInChI=1S/C3H7NO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3,(H2,4,5);
InChIKeyVQMSJMGFEILRPS-UHFFFAOYSA-N
MW192.07 g/mol
LogP0.92
Rot. Bonds1

About propanamide;thionyl dichloride

propanamide;thionyl dichloride (PubChem CID 161371403) has the molecular formula C3H7Cl2NO2S and a molecular weight of 192.07 g/mol. Its IUPAC name is propanamide;thionyl dichloride.

Molecular Properties

Compound Namepropanamide;thionyl dichloride
PubChem CID161371403
Molecular FormulaC3H7Cl2NO2S
Molecular Weight192.07 g/mol
Exact Mass190.96
IUPAC Namepropanamide;thionyl dichloride
SMILESCCC(N)=O.O=S(Cl)Cl
InChIInChI=1S/C3H7NO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3,(H2,4,5);
InChIKeyVQMSJMGFEILRPS-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanamide;thionyl dichloride?
The IUPAC name of propanamide;thionyl dichloride (CID 161371403) is propanamide;thionyl dichloride.
What is the SMILES notation for propanamide;thionyl dichloride?
The canonical SMILES for propanamide;thionyl dichloride is CCC(N)=O.O=S(Cl)Cl.
What is the InChIKey of propanamide;thionyl dichloride?
The InChIKey is VQMSJMGFEILRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.Cl2OS/c1-2-3(4)5;1-4(2)3/h2H2,1H3,(H2,4,5);.
What are the key properties of propanamide;thionyl dichloride?
propanamide;thionyl dichloride has a molecular weight of 192.07 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;thionyl dichloride is sourced from PubChem (CID 161371403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).