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1216881-94-5 molecular structure
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10-(methanesulfonylsulfanyl)decan-1-amine hydrobromide

ChemBase ID: 159982
Molecular Formular: C11H26BrNO2S2
Molecular Mass: 348.36364
Monoisotopic Mass: 347.05883308
SMILES and InChIs

SMILES:
NCCCCCCCCCCSS(=O)(=O)C.Br
Canonical SMILES:
NCCCCCCCCCCSS(=O)(=O)C.Br
InChI:
InChI=1S/C11H25NO2S2.BrH/c1-16(13,14)15-11-9-7-5-3-2-4-6-8-10-12;/h2-12H2,1H3;1H
InChIKey:
OIRLCLWGKRKKRO-UHFFFAOYSA-N

Cite this record

CBID:159982 http://www.chembase.cn/molecule-159982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-(methanesulfonylsulfanyl)decan-1-amine hydrobromide
IUPAC Traditional name
10-(methanesulfonylsulfanyl)decan-1-amine hydrobromide
Synonyms
10-Aminodecylmethanethiosulfonate Hydrobromide
CAS Number
1216881-94-5
PubChem SID
162254117
PubChem CID
46780235

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC A603790 external link Add to cart
PubChem 46780235 external link
Data Source Data ID Price
TRC
A603790 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6637064  LogD (pH = 7.4) -0.24392985 
Log P 2.360282  Molar Refractivity 72.5785 cm3
Polarizability 29.820618 Å3 Polar Surface Area 60.16 Å2
Rotatable Bonds 11  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
Warm Ethanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
100-102°C expand Show data source
Storage Condition
-20°C Freezer 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 - A603790 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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