methane;thionyl dichloride

CH4Cl2OS — CID 87295890

IUPACmethane;thionyl dichloride
SMILESC.O=S(Cl)Cl
InChIInChI=1S/CH4.Cl2OS/c;1-4(2)3/h1H4;
InChIKeyIIMBONQVCHHBAW-UHFFFAOYSA-N
MW135.02 g/mol
LogP1.68
Rot. Bonds

About methane;thionyl dichloride

methane;thionyl dichloride (PubChem CID 87295890) has the molecular formula CH4Cl2OS and a molecular weight of 135.02 g/mol. Its IUPAC name is methane;thionyl dichloride.

Molecular Properties

Compound Namemethane;thionyl dichloride
PubChem CID87295890
Molecular FormulaCH4Cl2OS
Molecular Weight135.02 g/mol
Exact Mass133.94
IUPAC Namemethane;thionyl dichloride
SMILESC.O=S(Cl)Cl
InChIInChI=1S/CH4.Cl2OS/c;1-4(2)3/h1H4;
InChIKeyIIMBONQVCHHBAW-UHFFFAOYSA-N
XLogP1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.02
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;thionyl dichloride?
The IUPAC name of methane;thionyl dichloride (CID 87295890) is methane;thionyl dichloride.
What is the SMILES notation for methane;thionyl dichloride?
The canonical SMILES for methane;thionyl dichloride is C.O=S(Cl)Cl.
What is the InChIKey of methane;thionyl dichloride?
The InChIKey is IIMBONQVCHHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.Cl2OS/c;1-4(2)3/h1H4;.
What are the key properties of methane;thionyl dichloride?
methane;thionyl dichloride has a molecular weight of 135.02 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;thionyl dichloride is sourced from PubChem (CID 87295890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).