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1126824-72-3 molecular structure
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7-bromothieno[2,3-b]pyrazine

ChemBase ID: 68272
Molecular Formular: C6H3BrN2S
Molecular Mass: 215.07042
Monoisotopic Mass: 213.92003111
SMILES and InChIs

SMILES:
c12c(nccn1)c(cs2)Br
Canonical SMILES:
Brc1csc2c1nccn2
InChI:
InChI=1S/C6H3BrN2S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H
InChIKey:
LKUNJISTXIJLSP-UHFFFAOYSA-N

Cite this record

CBID:68272 http://www.chembase.cn/molecule-68272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromothieno[2,3-b]pyrazine
IUPAC Traditional name
7-bromothieno[2,3-b]pyrazine
Synonyms
7-Bromothieno[2,3-b]pyrazine
CAS Number
1126824-72-3
MDL Number
MFCD13193345
PubChem SID
162034004
PubChem CID
56763841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56763841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9359905  LogD (pH = 7.4) 1.9359908 
Log P 1.9359908  Molar Refractivity 42.2877 cm3
Polarizability 16.975924 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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