ethyl 2,3-dihydrothiophene-3-carboxylate

C7H10O2S — CID 13430681

IUPACethyl 2,3-dihydrothiophene-3-carboxylate
SMILESCCOC(=O)C1C=CSC1
InChIInChI=1S/C7H10O2S/c1-2-9-7(8)6-3-4-10-5-6/h3-4,6H,2,5H2,1H3
InChIKeyZWMSTBMDDZCTHV-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.43
Rot. Bonds2

About ethyl 2,3-dihydrothiophene-3-carboxylate

ethyl 2,3-dihydrothiophene-3-carboxylate (PubChem CID 13430681) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is ethyl 2,3-dihydrothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydrothiophene-3-carboxylate
PubChem CID13430681
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Nameethyl 2,3-dihydrothiophene-3-carboxylate
SMILESCCOC(=O)C1C=CSC1
InChIInChI=1S/C7H10O2S/c1-2-9-7(8)6-3-4-10-5-6/h3-4,6H,2,5H2,1H3
InChIKeyZWMSTBMDDZCTHV-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
ethyl thiirane-2-carboxylate
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ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
ethyl 1,3-dithiole-2-carboxylate
CID 15190234
ethyl (1R)-cyclohepta-2,5-diene-1-carboxylate
CID 11788493
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 143766962
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate
CID 176689759

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydrothiophene-3-carboxylate?
The IUPAC name of ethyl 2,3-dihydrothiophene-3-carboxylate (CID 13430681) is ethyl 2,3-dihydrothiophene-3-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydrothiophene-3-carboxylate?
The canonical SMILES for ethyl 2,3-dihydrothiophene-3-carboxylate is CCOC(=O)C1C=CSC1.
What is the InChIKey of ethyl 2,3-dihydrothiophene-3-carboxylate?
The InChIKey is ZWMSTBMDDZCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-2-9-7(8)6-3-4-10-5-6/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2,3-dihydrothiophene-3-carboxylate?
ethyl 2,3-dihydrothiophene-3-carboxylate has a molecular weight of 158.22 g/mol, XLogP of 1.43, 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-3-carboxylate is sourced from PubChem (CID 13430681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).