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386229-81-8 molecular structure
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[(methanesulfonylsulfanyl)methyl]trimethylazanium bromide

ChemBase ID: 179213
Molecular Formular: C5H14BrNO2S2
Molecular Mass: 264.20416
Monoisotopic Mass: 262.96493269
SMILES and InChIs

SMILES:
[Br-].C[N+](C)(C)CSS(=O)(=O)C
Canonical SMILES:
C[N+](CSS(=O)(=O)C)(C)C.[Br-]
InChI:
InChI=1S/C5H14NO2S2.BrH/c1-6(2,3)5-9-10(4,7)8;/h5H2,1-4H3;1H/q+1;/p-1
InChIKey:
MURAHQFAYNERDC-UHFFFAOYSA-M

Cite this record

CBID:179213 http://www.chembase.cn/molecule-179213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(methanesulfonylsulfanyl)methyl]trimethylazanium bromide
IUPAC Traditional name
[(methanesulfonylsulfanyl)methyl]trimethylazanium bromide
Synonyms
N,N,N-Trimethyl-1-[(methylsulfonyl)thio]methanaminium Bromide
MTSMT
[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide
CAS Number
386229-81-8
PubChem SID
164235123
PubChem CID
46783192

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T795920 external link Add to cart
PubChem 46783192 external link
Data Source Data ID Price
TRC
T795920 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783192 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.3261185  LogD (pH = 7.4) -4.3261185 
Log P -4.3261185  Molar Refractivity 56.3861 cm3
Polarizability 18.755783 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
150-152°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Moisture Sensitive: Desiccate expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T795920 external link
Reacts specifically and rapidly with thiols to form mixed disulfides.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Duhten, R.L., et al.: Biochemistry, 32, 3139 (1993)
  • • Yang, N. et al.: Neuron, 16, 113 (1993)
  • • Kuner, T. et al.: Neuron, 17, 343 (1993)
  • • Holmgren, M. et al: Neuropharmacology, 35, 797 (1993)
  • • Chahine, M. et al.: Biochemical & Biophysical Res. Commun., 233
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PATENTS

PATENTS

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INTERNET

INTERNET

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