ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate

C10H10O4S2 — CID 134836872

IUPACethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate
SMILESCCOC(=O)c1c(SC)sc2c(O)coc12
InChIInChI=1S/C10H10O4S2/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2/h4,11H,3H2,1-2H3
InChIKeyUEEBSSXYTDCOCV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds3

About ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate

ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate (PubChem CID 134836872) has the molecular formula C10H10O4S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate
PubChem CID134836872
Molecular FormulaC10H10O4S2
Molecular Weight258.32 g/mol
Exact Mass258.00
IUPAC Nameethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate
SMILESCCOC(=O)c1c(SC)sc2c(O)coc12
InChIInChI=1S/C10H10O4S2/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2/h4,11H,3H2,1-2H3
InChIKeyUEEBSSXYTDCOCV-UHFFFAOYSA-N
XLogP3.10
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium
CID 134836871
diethyl 2,5-bis(methylsulfanyl)thiophene-3,4-dicarboxylate
CID 101083884
ethyl 3-hydroxy-4-methylsulfanyl-2H-thieno[3,4-b]furan-2-ide-6-carboxylate;yttrium
CID 134859006
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-bromo-6-fluoro-3-hydroxybenzoate
CID 130800843
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
ethyl 2-(4-ethoxycarbonylanilino)-4-hydroxyfuran-3-carboxylate
CID 54200672
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 3-bromo-5-hydroxy-4-oxopyran-2-carboxylate
CID 46948718
diethyl 2-ethoxyfuran-3,4-dicarboxylate
CID 12708714
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate?
The IUPAC name of ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate (CID 134836872) is ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate is CCOC(=O)c1c(SC)sc2c(O)coc12.
What is the InChIKey of ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate?
The InChIKey is UEEBSSXYTDCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S2/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2/h4,11H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate?
ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate is sourced from PubChem (CID 134836872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).