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22288-78-4 molecular structure
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ethyl 3-aminothiophene-2-carboxylate

ChemBase ID: 804420
Molecular Formular: C7H9NO2S
Molecular Mass: 171.21686
Monoisotopic Mass: 171.03539953
SMILES and InChIs

SMILES:
s1c(c(cc1)N)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1sccc1N
InChI:
InChI=1S/C7H9NO2S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4H,2,8H2,1H3
InChIKey:
VSRVNHPIXCUMIA-UHFFFAOYSA-N

Cite this record

CBID:804420 http://www.chembase.cn/molecule-804420.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-aminothiophene-2-carboxylate
IUPAC Traditional name
ethyl 3-aminothiophene-2-carboxylate
Synonyms
ETHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE
CAS Number
22288-78-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21385 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21385 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) 2.067486  LogD (pH = 7.4) 2.067486 
Log P 2.067486  Molar Refractivity 44.4222 cm3
Polarizability 16.44357 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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