ethyl 4-ethyl-5-methylthiophene-3-carboxylate

C10H14O2S — CID 114748154

IUPACethyl 4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1csc(C)c1CC
InChIInChI=1S/C10H14O2S/c1-4-8-7(3)13-6-9(8)10(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyULXNGMBPXLGKNI-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.80
Rot. Bonds3

About ethyl 4-ethyl-5-methylthiophene-3-carboxylate

ethyl 4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 114748154) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID114748154
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1csc(C)c1CC
InChIInChI=1S/C10H14O2S/c1-4-8-7(3)13-6-9(8)10(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyULXNGMBPXLGKNI-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(dichloromethyl)-5-methylthiophene-3-carboxylate
CID 68941601
azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
CID 6468462
ethyl 1-benzothiophene-3-carboxylate
CID 898679
ethyl 2-ethyl-3,5-dimethylbenzoate
CID 152572312
ethyl 2,4-dichlorothieno[2,3-d]pyrimidine-5-carboxylate
CID 82097838
ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
CID 11345878
ethyl 4-ethyl-5-iodo-1H-pyrrole-3-carboxylate
CID 132992464
methyl 2-[[(4-ethyl-5-methylthiophene-3-carbonyl)amino]carbamoylamino]benzoate
CID 2209228
ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate
CID 82065924
1-butyl-1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]thiourea
CID 21157277
ethyl 2-chloro-4-(diethylamino)thieno[2,3-d]pyrimidine-5-carboxylate
CID 93214001
ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
CID 114748150

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methylthiophene-3-carboxylate (CID 114748154) is ethyl 4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1csc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is ULXNGMBPXLGKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-8-7(3)13-6-9(8)10(11)12-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 198.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 114748154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).