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64389-22-6 molecular structure
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methyl 3-(5-bromothiophen-2-yl)prop-2-enoate

ChemBase ID: 800803
Molecular Formular: C8H7BrO2S
Molecular Mass: 247.10898
Monoisotopic Mass: 245.93501246
SMILES and InChIs

SMILES:
C(=O)(OC)C=Cc1sc(cc1)Br
Canonical SMILES:
COC(=O)C=Cc1ccc(s1)Br
InChI:
InChI=1S/C8H7BrO2S/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3
InChIKey:
UQYOUWDULIDGLV-UHFFFAOYSA-N

Cite this record

CBID:800803 http://www.chembase.cn/molecule-800803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
IUPAC Traditional name
methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
Synonyms
3-(5-Bromo-thiophen-2-yl)-acrylic acid methyl ester
CAS Number
64389-22-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16842 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16842 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3629436  LogD (pH = 7.4) 3.3629436 
Log P 3.3629436  Molar Refractivity 51.5016 cm3
Polarizability 19.935558 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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