ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium

C10H9O4S2Y- — CID 134836871

IUPACethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium
SMILESCCOC(=O)c1c(SC)sc2c(O)[c-]oc12.[Y]
InChIInChI=1S/C10H9O4S2.Y/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2;/h11H,3H2,1-2H3;/q-1;
InChIKeyKXVSEISZQBTZQX-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.90
Rot. Bonds3

About ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium

ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium (PubChem CID 134836871) has the molecular formula C10H9O4S2Y- and a molecular weight of 346.22 g/mol. Its IUPAC name is ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium.

Molecular Properties

Compound Nameethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium
PubChem CID134836871
Molecular FormulaC10H9O4S2Y-
Molecular Weight346.22 g/mol
Exact Mass345.90
IUPAC Nameethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium
SMILESCCOC(=O)c1c(SC)sc2c(O)[c-]oc12.[Y]
InChIInChI=1S/C10H9O4S2.Y/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2;/h11H,3H2,1-2H3;/q-1;
InChIKeyKXVSEISZQBTZQX-UHFFFAOYSA-N
XLogP2.90
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-4-methylsulfanyl-2H-thieno[3,4-b]furan-2-ide-6-carboxylate;yttrium
CID 134859006
ethyl 3-hydroxy-5-methylsulfanylthieno[3,2-b]furan-6-carboxylate
CID 134836872
diethyl 2,5-bis(methylsulfanyl)thiophene-3,4-dicarboxylate
CID 101083884
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 4-methyl-3-methylsulfanyl-5-sulfanylidenedithiolo[4,3-b]pyrrole-6-carboxylate
CID 10590722
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
ethane;ethyl 4-cyano-3-methyl-5-methylsulfanylthiophene-2-carboxylate
CID 143914737
diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
ethyl 4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
CID 2778758
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium?
The IUPAC name of ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium (CID 134836871) is ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium.
What is the SMILES notation for ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium?
The canonical SMILES for ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium is CCOC(=O)c1c(SC)sc2c(O)[c-]oc12.[Y].
What is the InChIKey of ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium?
The InChIKey is KXVSEISZQBTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O4S2.Y/c1-3-13-9(12)6-7-8(5(11)4-14-7)16-10(6)15-2;/h11H,3H2,1-2H3;/q-1;.
What are the key properties of ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium?
ethyl 3-hydroxy-5-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium has a molecular weight of 346.22 g/mol, XLogP of 2.90, 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-methylsulfanyl-2H-thieno[3,2-b]furan-2-ide-6-carboxylate;yttrium is sourced from PubChem (CID 134836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).