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3144-09-0 molecular structure
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methanesulfonamide

ChemBase ID: 8571
Molecular Formular: CH5NO2S
Molecular Mass: 95.1209
Monoisotopic Mass: 95.00409941
SMILES and InChIs

SMILES:
S(=O)(=O)(N)C
Canonical SMILES:
CS(=O)(=O)N
InChI:
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
InChIKey:
HNQIVZYLYMDVSB-UHFFFAOYSA-N

Cite this record

CBID:8571 http://www.chembase.cn/molecule-8571.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanesulfonamide
IUPAC Traditional name
methanesulfonamide
Synonyms
Methanesulfonamide
Methylsulfonamide
Methylsulfonamide
Methanesulphonamide 97%
Methanesulfonamide
甲磺酰胺
甲烷磺酰胺
CAS Number
3144-09-0
EC Number
221-553-6
MDL Number
MFCD00007940
Beilstein Number
1740835
PubChem SID
160971878
24883221
PubChem CID
72879

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.107944  H Acceptors
H Donor LogD (pH = 5.5) -1.5352495 
LogD (pH = 7.4) -1.5352503  Log P -1.5352495 
Molar Refractivity 18.0669 cm3 Polarizability 8.02562 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
85-89 °C(lit.) expand Show data source
85-89°C expand Show data source
87-93°C expand Show data source
91-93°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37-60 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (CHN) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Linear Formula
CH3SO2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 471534 external link
Legal Information
Product of Arkema Inc.
Sigma Aldrich - 64275 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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