bromo methanesulfonate;chloro methanesulfonate

C2H6BrClO6S2 — CID 141377269

IUPACbromo methanesulfonate;chloro methanesulfonate
SMILESCS(=O)(=O)OBr.CS(=O)(=O)OCl
InChIInChI=1S/CH3BrO3S.CH3ClO3S/c2*1-6(3,4)5-2/h2*1H3
InChIKeyOZAJBTRJYVBZIS-UHFFFAOYSA-N
MW305.56 g/mol
LogP0.39
Rot. Bonds2

About bromo methanesulfonate;chloro methanesulfonate

bromo methanesulfonate;chloro methanesulfonate (PubChem CID 141377269) has the molecular formula C2H6BrClO6S2 and a molecular weight of 305.56 g/mol. Its IUPAC name is bromo methanesulfonate;chloro methanesulfonate.

Molecular Properties

Compound Namebromo methanesulfonate;chloro methanesulfonate
PubChem CID141377269
Molecular FormulaC2H6BrClO6S2
Molecular Weight305.56 g/mol
Exact Mass303.85
IUPAC Namebromo methanesulfonate;chloro methanesulfonate
SMILESCS(=O)(=O)OBr.CS(=O)(=O)OCl
InChIInChI=1S/CH3BrO3S.CH3ClO3S/c2*1-6(3,4)5-2/h2*1H3
InChIKeyOZAJBTRJYVBZIS-UHFFFAOYSA-N
XLogP0.39
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bromo methanesulfonate;chloro methanesulfonate?
The IUPAC name of bromo methanesulfonate;chloro methanesulfonate (CID 141377269) is bromo methanesulfonate;chloro methanesulfonate.
What is the SMILES notation for bromo methanesulfonate;chloro methanesulfonate?
The canonical SMILES for bromo methanesulfonate;chloro methanesulfonate is CS(=O)(=O)OBr.CS(=O)(=O)OCl.
What is the InChIKey of bromo methanesulfonate;chloro methanesulfonate?
The InChIKey is OZAJBTRJYVBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BrO3S.CH3ClO3S/c2*1-6(3,4)5-2/h2*1H3.
What are the key properties of bromo methanesulfonate;chloro methanesulfonate?
bromo methanesulfonate;chloro methanesulfonate has a molecular weight of 305.56 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bromo methanesulfonate;chloro methanesulfonate is sourced from PubChem (CID 141377269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).