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63862-00-0 molecular structure
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2,4-dibromo-3,5-dimethylthiophene

ChemBase ID: 53183
Molecular Formular: C6H6Br2S
Molecular Mass: 269.98484
Monoisotopic Mass: 267.85569519
SMILES and InChIs

SMILES:
c1(sc(c(c1C)Br)C)Br
Canonical SMILES:
Brc1sc(c(c1C)Br)C
InChI:
InChI=1S/C6H6Br2S/c1-3-5(7)4(2)9-6(3)8/h1-2H3
InChIKey:
RPCAOQRHVBMFNW-UHFFFAOYSA-N

Cite this record

CBID:53183 http://www.chembase.cn/molecule-53183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromo-3,5-dimethylthiophene
IUPAC Traditional name
2,4-dibromo-3,5-dimethylthiophene
Synonyms
2,4-Dibromo-3,5-dimethylthiophene
CAS Number
63862-00-0
MDL Number
MFCD11226511
PubChem SID
162057946
PubChem CID
10588076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057952 external link Add to cart Please log in.
Data Source Data ID
PubChem 10588076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6164713  LogD (pH = 7.4) 4.6164713 
Log P 4.6164713  Molar Refractivity 47.6668 cm3
Polarizability 18.53508 Å3 Polar Surface Area 0.0 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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