ethyl 5-chlorothiophene-2-carboxylate

C7H7ClO2S — CID 521808

IUPACethyl 5-chlorothiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKeyBMOKMXXTOZFEIZ-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.58
Rot. Bonds2

About ethyl 5-chlorothiophene-2-carboxylate

ethyl 5-chlorothiophene-2-carboxylate (PubChem CID 521808) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is ethyl 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chlorothiophene-2-carboxylate
PubChem CID521808
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Nameethyl 5-chlorothiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKeyBMOKMXXTOZFEIZ-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-thiophenecarboxylic acid
CID 95048
Methyl thenoate
CID 79340
Ethyl 2-thenoate
CID 76052
2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
CID 673658
Methyl 3-chlorothiophene-2-carboxylate
CID 2777566
Methyl 5-chlorothiophene-2-carboxylate
CID 589473
Butyl 2-thenoate
CID 91997
Methyl 5-chloro-3-(chlorosulfonyl)thiophene-2-carboxylate
CID 10869516
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2346958
2-Thiophenecarboxylic acid, propyl ester
CID 573763
Ethyl 5-chloro-4-methylthiophene-2-carboxylate
CID 12605958
Methyl 4-bromo-5-chlorothiophene-2-carboxylate
CID 57826388

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chlorothiophene-2-carboxylate?
The IUPAC name of ethyl 5-chlorothiophene-2-carboxylate (CID 521808) is ethyl 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-chlorothiophene-2-carboxylate?
The canonical SMILES for ethyl 5-chlorothiophene-2-carboxylate is CCOC(=O)c1ccc(Cl)s1.
What is the InChIKey of ethyl 5-chlorothiophene-2-carboxylate?
The InChIKey is BMOKMXXTOZFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-chlorothiophene-2-carboxylate?
ethyl 5-chlorothiophene-2-carboxylate has a molecular weight of 190.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 521808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).