ethyl 2,3-dihydrothiophene-2-carboxylate

C7H10O2S — CID 18707249

IUPACethyl 2,3-dihydrothiophene-2-carboxylate
SMILESCCOC(=O)C1CC=CS1
InChIInChI=1S/C7H10O2S/c1-2-9-7(8)6-4-3-5-10-6/h3,5-6H,2,4H2,1H3
InChIKeyPEPBFKHZPBKRGQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.57
Rot. Bonds2

About ethyl 2,3-dihydrothiophene-2-carboxylate

ethyl 2,3-dihydrothiophene-2-carboxylate (PubChem CID 18707249) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is ethyl 2,3-dihydrothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydrothiophene-2-carboxylate
PubChem CID18707249
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Nameethyl 2,3-dihydrothiophene-2-carboxylate
SMILESCCOC(=O)C1CC=CS1
InChIInChI=1S/C7H10O2S/c1-2-9-7(8)6-4-3-5-10-6/h3,5-6H,2,4H2,1H3
InChIKeyPEPBFKHZPBKRGQ-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pentenoic acid, 2-(methylthio)-, ethyl ester
CID 10954024
ethyl 3,4-dihydro-2H-thiopyran-3-carboxylate
CID 14223555
Ethyl 2,3-dihydrothiophene-3-carboxylate
CID 13430681
ethyl 3,4-dihydro-2H-thiopyran-2-carboxylate
CID 14223554
Ethyl 2-ethylsulfanyl-3-methylpent-4-enoate
CID 24974599
ethyl 2,2-dimethyl-3H-thiophene-3-carboxylate
CID 85875829
1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
CID 547710
ethyl 3-[(E)-hex-1-enyl]sulfanylpropanoate
CID 10656373
2,3-Dihydrothiophen-2-yl acetate
CID 19018783
Methyl 2,3-dihydrothiophene-2-carboxylate
CID 21999853
Ethyl 2-methylsulfanyloct-4-enoate
CID 53914399
ethyl 2-bromo-3H-thiophene-2-carboxylate
CID 67059772

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydrothiophene-2-carboxylate?
The IUPAC name of ethyl 2,3-dihydrothiophene-2-carboxylate (CID 18707249) is ethyl 2,3-dihydrothiophene-2-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydrothiophene-2-carboxylate?
The canonical SMILES for ethyl 2,3-dihydrothiophene-2-carboxylate is CCOC(=O)C1CC=CS1.
What is the InChIKey of ethyl 2,3-dihydrothiophene-2-carboxylate?
The InChIKey is PEPBFKHZPBKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-2-9-7(8)6-4-3-5-10-6/h3,5-6H,2,4H2,1H3.
What are the key properties of ethyl 2,3-dihydrothiophene-2-carboxylate?
ethyl 2,3-dihydrothiophene-2-carboxylate has a molecular weight of 158.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydrothiophene-2-carboxylate is sourced from PubChem (CID 18707249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).