Home > Compound List > Compound details
19432-66-7 molecular structure
click picture or here to close

ethyl 2-methylthiophene-3-carboxylate

ChemBase ID: 70738
Molecular Formular: C8H10O2S
Molecular Mass: 170.2288
Monoisotopic Mass: 170.04015056
SMILES and InChIs

SMILES:
c1(c(ccs1)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1ccsc1C
InChI:
InChI=1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3
InChIKey:
GNOBQWZOPPOTMC-UHFFFAOYSA-N

Cite this record

CBID:70738 http://www.chembase.cn/molecule-70738.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-methylthiophene-3-carboxylate
IUPAC Traditional name
ethyl 2-methylthiophene-3-carboxylate
Synonyms
Ethyl 2-methylthiophene-3-carboxylate
2-Methyl-3-thiophenecarboxylic acid, ethyl ester
CAS Number
19432-66-7
MDL Number
MFCD14698267
PubChem SID
162036451
PubChem CID
10464736

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7598336  LogD (pH = 7.4) 2.7598336 
Log P 2.7598336  Molar Refractivity 44.994 cm3
Polarizability 17.049543 Å3 Polar Surface Area 26.3 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle