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67869-13-0 molecular structure
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2,3,5-tribromo-4-methylthiophene

ChemBase ID: 293255
Molecular Formular: C5H3Br3S
Molecular Mass: 334.85432
Monoisotopic Mass: 331.7505571
SMILES and InChIs

SMILES:
Cc1c(Br)sc(Br)c1Br
Canonical SMILES:
Brc1sc(c(c1Br)C)Br
InChI:
InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKey:
DTLNXOZXOZCNMX-UHFFFAOYSA-N

Cite this record

CBID:293255 http://www.chembase.cn/molecule-293255.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-tribromo-4-methylthiophene
IUPAC Traditional name
2,3,5-tribromo-4-methylthiophene
Synonyms
2,3,5-Tribromo-4-methylthiophene
CAS Number
67869-13-0
MDL Number
MFCD00130086
PubChem SID
180678786
PubChem CID
3017801

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD2524 Please log in.
Data Source Data ID
PubChem 3017801 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.905359  LogD (pH = 7.4) 4.905359 
Log P 4.905359  Molar Refractivity 49.3932 cm3
Polarizability 20.104202 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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