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24237-39-6 molecular structure
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ethyl 2-amino-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

ChemBase ID: 35423
Molecular Formular: C11H16N2O2S
Molecular Mass: 240.32194
Monoisotopic Mass: 240.09324876
SMILES and InChIs

SMILES:
c1(c(sc2c1CCN(C2)C)N)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1c(N)sc2c1CCN(C2)C
InChI:
InChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7-4-5-13(2)6-8(7)16-10(9)12/h3-6,12H2,1-2H3
InChIKey:
BLLSMPCWRPCBDL-UHFFFAOYSA-N

Cite this record

CBID:35423 http://www.chembase.cn/molecule-35423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-amino-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
IUPAC Traditional name
ethyl 2-amino-6-methyl-4H,5H,7H-thieno[2,3-c]pyridine-3-carboxylate
Synonyms
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate 97%
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno-[2,3-c]pyridine-3-carboxylate
CAS Number
24237-39-6
MDL Number
MFCD01147322
PubChem SID
160998730
PubChem CID
207319

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 207319 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.646376  H Acceptors
H Donor LogD (pH = 5.5) -0.011462152 
LogD (pH = 7.4) 1.7065465  Log P 2.2147675 
Molar Refractivity 65.4344 cm3 Polarizability 24.505583 Å3
Polar Surface Area 55.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
100-102°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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