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412923-40-1 molecular structure
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2-bromo-[1,3]thiazolo[5,4-b]pyridine

ChemBase ID: 67696
Molecular Formular: C6H3BrN2S
Molecular Mass: 215.07042
Monoisotopic Mass: 213.92003111
SMILES and InChIs

SMILES:
c12c(cccn1)nc(s2)Br
Canonical SMILES:
Brc1nc2c(s1)nccc2
InChI:
InChI=1S/C6H3BrN2S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H
InChIKey:
VUSLYGKUDDJMMC-UHFFFAOYSA-N

Cite this record

CBID:67696 http://www.chembase.cn/molecule-67696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-[1,3]thiazolo[5,4-b]pyridine
IUPAC Traditional name
2-bromo-[1,3]thiazolo[5,4-b]pyridine
Synonyms
2-Bromothiazolo[5,4-b]pyridine
CAS Number
412923-40-1
MDL Number
MFCD08234814
PubChem SID
162033431
PubChem CID
45789984

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45789984 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3273282  LogD (pH = 7.4) 2.3273284 
Log P 2.3273284  Molar Refractivity 42.5492 cm3
Polarizability 17.064217 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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