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106139-15-5 molecular structure
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2-[(2-aminoethyl)disulfanyl]pyridine hydrochloride

ChemBase ID: 177206
Molecular Formular: C7H11ClN2S2
Molecular Mass: 222.75864
Monoisotopic Mass: 222.00521804
SMILES and InChIs

SMILES:
c1cnc(cc1)SSCCN.Cl
Canonical SMILES:
NCCSSc1ccccn1.Cl
InChI:
InChI=1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H
InChIKey:
SEKLFMRSNLFPRB-UHFFFAOYSA-N

Cite this record

CBID:177206 http://www.chembase.cn/molecule-177206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2-aminoethyl)disulfanyl]pyridine hydrochloride
IUPAC Traditional name
2-[(2-aminoethyl)disulfanyl]pyridine hydrochloride
Synonyms
S-(2-Aminoethyl)dithio-2-pyridine Hydrochloride, S-(2-Pyridylthio)cysteamine Hydrochloride
S-2-Pyridylthio Cysteamine Hydrochloride
CAS Number
106139-15-5
PubChem SID
164233116
PubChem CID
13985234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P996100 external link Add to cart
PubChem 13985234 external link
Data Source Data ID Price
TRC
P996100 external link Add to cart Please log in.
Data Source Data ID
PubChem 13985234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7088159  LogD (pH = 7.4) -0.8369649 
Log P 1.2872759  Molar Refractivity 50.9927 cm3
Polarizability 20.797129 Å3 Polar Surface Area 38.91 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
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
124-126°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 - P996100 external link
A cleavable cross-linking reagent.

REFERENCES

REFERENCES

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  • • Ebright, Y.W., et al.: Biochemistry, 31, 10664 (1992)
  • • Ebright, Y.W., et al.: Bioconjugate Chem., 7(1992)
  • • 381 (1996)
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PATENTS

PATENTS

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INTERNET

INTERNET

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