1-chlorooctane;sulfuryl dichloride

C8H17Cl3O2S — CID 174404842

IUPAC1-chlorooctane;sulfuryl dichloride
SMILESCCCCCCCCCl.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H17Cl.Cl2O2S/c1-2-3-4-5-6-7-8-9;1-5(2,3)4/h2-8H2,1H3;
InChIKeyMCFKNTDEXJUBME-UHFFFAOYSA-N
MW283.65 g/mol
LogP4.29
Rot. Bonds6

About 1-chlorooctane;sulfuryl dichloride

1-chlorooctane;sulfuryl dichloride (PubChem CID 174404842) has the molecular formula C8H17Cl3O2S and a molecular weight of 283.65 g/mol. Its IUPAC name is 1-chlorooctane;sulfuryl dichloride.

Molecular Properties

Compound Name1-chlorooctane;sulfuryl dichloride
PubChem CID174404842
Molecular FormulaC8H17Cl3O2S
Molecular Weight283.65 g/mol
Exact Mass282.00
IUPAC Name1-chlorooctane;sulfuryl dichloride
SMILESCCCCCCCCCl.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H17Cl.Cl2O2S/c1-2-3-4-5-6-7-8-9;1-5(2,3)4/h2-8H2,1H3;
InChIKeyMCFKNTDEXJUBME-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-chloropentane;octacosane
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1-chloropentane;pentadecane
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CID 87162953
CID 87162953
1-chloroicosane;phosphoric acid
CID 174813023
1-chloropentane;oxozinc
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sodium;1-chlorododecane;chloride
CID 175001889
azane;1-chlorohexadecane;hydrate
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sodium;carbanide;1-chlorododecane
CID 175514406

Frequently Asked Questions

What is the IUPAC name of 1-chlorooctane;sulfuryl dichloride?
The IUPAC name of 1-chlorooctane;sulfuryl dichloride (CID 174404842) is 1-chlorooctane;sulfuryl dichloride.
What is the SMILES notation for 1-chlorooctane;sulfuryl dichloride?
The canonical SMILES for 1-chlorooctane;sulfuryl dichloride is CCCCCCCCCl.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-chlorooctane;sulfuryl dichloride?
The InChIKey is MCFKNTDEXJUBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl.Cl2O2S/c1-2-3-4-5-6-7-8-9;1-5(2,3)4/h2-8H2,1H3;.
What are the key properties of 1-chlorooctane;sulfuryl dichloride?
1-chlorooctane;sulfuryl dichloride has a molecular weight of 283.65 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorooctane;sulfuryl dichloride is sourced from PubChem (CID 174404842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).