ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate

C10H13ClO2S — CID 154635139

IUPACethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO2S/c1-4-13-10(12)9-7(6(2)3)5-8(11)14-9/h5-6H,4H2,1-3H3
InChIKeyVWCYDKNVEJGUIW-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.70
Rot. Bonds3

About ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate

ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate (PubChem CID 154635139) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate
PubChem CID154635139
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Nameethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO2S/c1-4-13-10(12)9-7(6(2)3)5-8(11)14-9/h5-6H,4H2,1-3H3
InChIKeyVWCYDKNVEJGUIW-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane
CID 143276149
ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 14657234
diethyl 5-amino-3-propan-2-ylthiophene-2,4-dicarboxylate
CID 42656877
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
ethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2-carboxylate
CID 8000608
ethyl 5-chloro-3-propan-2-yl-2-propoxybenzoate
CID 82552792
2-[(2-methylpropan-2-yl)oxy]ethyl 5-chloro-3-methylthiophene-2-carboxylate
CID 13376221
ethyl 3,4,6-trichloro-1-benzothiophene-2-carboxylate
CID 132590861
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate (CID 154635139) is ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(Cl)cc1C(C)C.
What is the InChIKey of ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate?
The InChIKey is VWCYDKNVEJGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-4-13-10(12)9-7(6(2)3)5-8(11)14-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate?
ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate has a molecular weight of 232.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 154635139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).