dichloromethane;methane;sulfuryl dichloride

C2H6Cl4O2S — CID 174545901

IUPACdichloromethane;methane;sulfuryl dichloride
SMILESC.ClCCl.O=S(=O)(Cl)Cl
InChIInChI=1S/CH2Cl2.CH4.Cl2O2S/c2-1-3;;1-5(2,3)4/h1H2;1H4;
InChIKeyWGRFWDOZPJTAKX-UHFFFAOYSA-N
MW235.95 g/mol
LogP2.77
Rot. Bonds

About dichloromethane;methane;sulfuryl dichloride

dichloromethane;methane;sulfuryl dichloride (PubChem CID 174545901) has the molecular formula C2H6Cl4O2S and a molecular weight of 235.95 g/mol. Its IUPAC name is dichloromethane;methane;sulfuryl dichloride.

Molecular Properties

Compound Namedichloromethane;methane;sulfuryl dichloride
PubChem CID174545901
Molecular FormulaC2H6Cl4O2S
Molecular Weight235.95 g/mol
Exact Mass233.88
IUPAC Namedichloromethane;methane;sulfuryl dichloride
SMILESC.ClCCl.O=S(=O)(Cl)Cl
InChIInChI=1S/CH2Cl2.CH4.Cl2O2S/c2-1-3;;1-5(2,3)4/h1H2;1H4;
InChIKeyWGRFWDOZPJTAKX-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.95
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174721529
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CID 174868650
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CID 22465915
cyclopentane;sulfuryl dichloride
CID 87352462
dimethyltin;sulfuryl dichloride
CID 174517902
1-chlorooctane;sulfuryl dichloride
CID 174404842
N-ethylethanamine;sulfuryl dichloride
CID 174619621
potassium;methane;2-methylpropan-2-olate;sulfuryl dichloride
CID 173139081
dichloromethane;isocyanic acid;methane
CID 172756177
sulfuryl dichloride isocyanate
CID 20568192
dichloromethane;proton
CID 174889445
dichloromethane;germane
CID 174557663

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methane;sulfuryl dichloride?
The IUPAC name of dichloromethane;methane;sulfuryl dichloride (CID 174545901) is dichloromethane;methane;sulfuryl dichloride.
What is the SMILES notation for dichloromethane;methane;sulfuryl dichloride?
The canonical SMILES for dichloromethane;methane;sulfuryl dichloride is C.ClCCl.O=S(=O)(Cl)Cl.
What is the InChIKey of dichloromethane;methane;sulfuryl dichloride?
The InChIKey is WGRFWDOZPJTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.CH4.Cl2O2S/c2-1-3;;1-5(2,3)4/h1H2;1H4;.
What are the key properties of dichloromethane;methane;sulfuryl dichloride?
dichloromethane;methane;sulfuryl dichloride has a molecular weight of 235.95 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methane;sulfuryl dichloride is sourced from PubChem (CID 174545901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).