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134872-23-4 molecular structure
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2-bromo-5-(methylsulfanyl)pyridine

ChemBase ID: 143760
Molecular Formular: C6H6BrNS
Molecular Mass: 204.08754
Monoisotopic Mass: 202.9404322
SMILES and InChIs

SMILES:
CSc1ccc(nc1)Br
Canonical SMILES:
CSc1ccc(nc1)Br
InChI:
InChI=1S/C6H6BrNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey:
IFMCOWPTUPYFCT-UHFFFAOYSA-N

Cite this record

CBID:143760 http://www.chembase.cn/molecule-143760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-(methylsulfanyl)pyridine
IUPAC Traditional name
2-bromo-5-(methylsulfanyl)pyridine
Synonyms
2-Bromo-5-(methylthio)pyridine
2-bromo-5-(methylthio)pyridine
CAS Number
134872-23-4
MDL Number
MFCD04974522
PubChem SID
162237977
PubChem CID
11658494

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11658494 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3580565  LogD (pH = 7.4) 2.3580651 
Log P 2.3580651  Molar Refractivity 45.125 cm3
Polarizability 17.180326 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C6H6BrNS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00035 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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