1-bromobutane;sulfuryl dichloride

C4H9BrCl2O2S — CID 159220467

IUPAC1-bromobutane;sulfuryl dichloride
SMILESCCCCBr.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H9Br.Cl2O2S/c1-2-3-4-5;1-5(2,3)4/h2-4H2,1H3;
InChIKeyKRPQXNUAAZYGOM-UHFFFAOYSA-N
MW271.99 g/mol
LogP2.89
Rot. Bonds2

About 1-bromobutane;sulfuryl dichloride

1-bromobutane;sulfuryl dichloride (PubChem CID 159220467) has the molecular formula C4H9BrCl2O2S and a molecular weight of 271.99 g/mol. Its IUPAC name is 1-bromobutane;sulfuryl dichloride.

Molecular Properties

Compound Name1-bromobutane;sulfuryl dichloride
PubChem CID159220467
Molecular FormulaC4H9BrCl2O2S
Molecular Weight271.99 g/mol
Exact Mass269.89
IUPAC Name1-bromobutane;sulfuryl dichloride
SMILESCCCCBr.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H9Br.Cl2O2S/c1-2-3-4-5;1-5(2,3)4/h2-4H2,1H3;
InChIKeyKRPQXNUAAZYGOM-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 1-bromobutane;sulfuryl dichloride?
The IUPAC name of 1-bromobutane;sulfuryl dichloride (CID 159220467) is 1-bromobutane;sulfuryl dichloride.
What is the SMILES notation for 1-bromobutane;sulfuryl dichloride?
The canonical SMILES for 1-bromobutane;sulfuryl dichloride is CCCCBr.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-bromobutane;sulfuryl dichloride?
The InChIKey is KRPQXNUAAZYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br.Cl2O2S/c1-2-3-4-5;1-5(2,3)4/h2-4H2,1H3;.
What are the key properties of 1-bromobutane;sulfuryl dichloride?
1-bromobutane;sulfuryl dichloride has a molecular weight of 271.99 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutane;sulfuryl dichloride is sourced from PubChem (CID 159220467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).