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2043-76-7 molecular structure
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(methanesulfonylsulfanyl)ethane

ChemBase ID: 168651
Molecular Formular: C3H8O2S2
Molecular Mass: 140.22442
Monoisotopic Mass: 139.9965715
SMILES and InChIs

SMILES:
C(SS(=O)(=O)C)C
Canonical SMILES:
CCSS(=O)(=O)C
InChI:
InChI=1S/C3H8O2S2/c1-3-6-7(2,4)5/h3H2,1-2H3
InChIKey:
IZAYCFBWPSFFJI-UHFFFAOYSA-N

Cite this record

CBID:168651 http://www.chembase.cn/molecule-168651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methanesulfonylsulfanyl)ethane
IUPAC Traditional name
(methanesulfonylsulfanyl)ethane
Synonyms
Methanesulfonothioic Acid S-Ethyl Ester
EMTS
Ethyl Methanethiosulfonate
CAS Number
2043-76-7
PubChem SID
162262783
PubChem CID
13507713

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925010 external link Add to cart
PubChem 13507713 external link
Data Source Data ID Price
TRC
E925010 external link Add to cart Please log in.
Data Source Data ID
PubChem 13507713 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2693392  LogD (pH = 7.4) 0.2693392 
Log P 0.2693392  Molar Refractivity 32.2613 cm3
Polarizability 13.608178 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
Chloroform expand Show data source
DMSO expand Show data source
Apperance
Clear Colourless Oil expand Show data source
Boiling Point
101°C/4 mm Hg expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E925010 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
  • • Xu, M. & Akabus, M.H.: J. Biol. Chem., 268, 21505 (1993)
  • • 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)
  • • Mascia, M.P., et al.: PNAS, 97, 16, 9305 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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