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Methanesulfonic Acid

CAS: 75-75-2 | CH4O3S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 75-75-2
Molecular Formula: CH4O3S
Molecular Weight: 96.107 g/mol

Names and Synonyms:

Methanesulfonic Acid
Lutropur MSA 100
Mesylates
Methanesulfonic acids
Circuposit Neutralizer 3319/4190
Lutropur G 100
Lutropur MSA
Lutropure MAS
Mesylic acid
Scaleva
NSC 3718
MCAT 1201
Methylsulfonic acid
Methanesulfonic acid

Identifiers:

SMILES:
CS(=O)(=O)O
InChI:
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 96.11 g/mol Legacy Database
density 1.48 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Methanesulfonic_acid None Legacy Database
cas-boiling-point 167 °C @ Press: 10 Torr None Legacy Database
cas-canonical-smile O=S(=O)(O)C None Legacy Database
cas-density 1.4812 g/cm3 @ Temp: 18 °C None Legacy Database
cas-inchi InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) None Legacy Database
cas-inchi-key InChIKey=AFVFQIVMOAPDHO-UHFFFAOYSA-N None Legacy Database
cas-melting-point 20 °C None Legacy Database
cas-name Methanesulfonic acid None Legacy Database
wikipedia-name Methanesulfonic acid None Legacy Database
LogP -0.49599999999999983 RDKit

Molecular

Property Value Source
Molecular Weight 96.107 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 95.988114988 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 5 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 54.370000000000005 Ų RDKit

Molar

Property Value Source
Molar Refractivity 17.472600000000003 RDKit

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