methanesulfonate;hydrobromide

CH4BrO3S- — CID 18469443

IUPACmethanesulfonate;hydrobromide
SMILESBr.CS(=O)(=O)[O-]
InChIInChI=1S/CH4O3S.BrH/c1-5(2,3)4;/h1H3,(H,2,3,4);1H/p-1
InChIKeyPUAHUWTWVWFAHK-UHFFFAOYSA-M
MW176.01 g/mol
LogP-0.26
Rot. Bonds

About methanesulfonate;hydrobromide

methanesulfonate;hydrobromide (PubChem CID 18469443) has the molecular formula CH4BrO3S- and a molecular weight of 176.01 g/mol. Its IUPAC name is methanesulfonate;hydrobromide.

Molecular Properties

Compound Namemethanesulfonate;hydrobromide
PubChem CID18469443
Molecular FormulaCH4BrO3S-
Molecular Weight176.01 g/mol
Exact Mass174.91
IUPAC Namemethanesulfonate;hydrobromide
SMILESBr.CS(=O)(=O)[O-]
InChIInChI=1S/CH4O3S.BrH/c1-5(2,3)4;/h1H3,(H,2,3,4);1H/p-1
InChIKeyPUAHUWTWVWFAHK-UHFFFAOYSA-M
XLogP-0.26
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;hydrobromide?
The IUPAC name of methanesulfonate;hydrobromide (CID 18469443) is methanesulfonate;hydrobromide.
What is the SMILES notation for methanesulfonate;hydrobromide?
The canonical SMILES for methanesulfonate;hydrobromide is Br.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;hydrobromide?
The InChIKey is PUAHUWTWVWFAHK-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.BrH/c1-5(2,3)4;/h1H3,(H,2,3,4);1H/p-1.
What are the key properties of methanesulfonate;hydrobromide?
methanesulfonate;hydrobromide has a molecular weight of 176.01 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;hydrobromide is sourced from PubChem (CID 18469443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).