ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate

C10H10O4S — CID 131313226

IUPACethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)C(=O)COC2
InChIInChI=1S/C10H10O4S/c1-2-14-10(12)8-3-6-4-13-5-7(11)9(6)15-8/h3H,2,4-5H2,1H3
InChIKeyDXORLDHURBQZOL-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.64
Rot. Bonds2

About ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate

ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate (PubChem CID 131313226) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate
PubChem CID131313226
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Nameethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)C(=O)COC2
InChIInChI=1S/C10H10O4S/c1-2-14-10(12)8-3-6-4-13-5-7(11)9(6)15-8/h3H,2,4-5H2,1H3
InChIKeyDXORLDHURBQZOL-UHFFFAOYSA-N
XLogP1.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-amino-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 23117358
ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 141352577
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
ethane;ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 166137482
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
ethyl 10-(1-methylpiperidin-4-ylidene)-4H-thieno[3,2-c][1]benzoxepine-2-carboxylate;hydrochloride
CID 71256074
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
CID 66523915
2-ethoxyethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 78790264
ethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42582900
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate?
The IUPAC name of ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate (CID 131313226) is ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate.
What is the SMILES notation for ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate?
The canonical SMILES for ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate is CCOC(=O)c1cc2c(s1)C(=O)COC2.
What is the InChIKey of ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate?
The InChIKey is DXORLDHURBQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-2-14-10(12)8-3-6-4-13-5-7(11)9(6)15-8/h3H,2,4-5H2,1H3.
What are the key properties of ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate?
ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-4H-thieno[3,2-c]pyran-2-carboxylate is sourced from PubChem (CID 131313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).