methyl 3-methylsulfinylthiophene-2-carboxylate

C7H8O3S2 — CID 71387266

IUPACmethyl 3-methylsulfinylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(C)=O
InChIInChI=1S/C7H8O3S2/c1-10-7(8)6-5(12(2)9)3-4-11-6/h3-4H,1-2H3
InChIKeyULAYIVDKZYXZPM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds2

About methyl 3-methylsulfinylthiophene-2-carboxylate

methyl 3-methylsulfinylthiophene-2-carboxylate (PubChem CID 71387266) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 3-methylsulfinylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylsulfinylthiophene-2-carboxylate
PubChem CID71387266
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Namemethyl 3-methylsulfinylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(C)=O
InChIInChI=1S/C7H8O3S2/c1-10-7(8)6-5(12(2)9)3-4-11-6/h3-4H,1-2H3
InChIKeyULAYIVDKZYXZPM-UHFFFAOYSA-N
XLogP1.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methylsulfinylthiophene-2-carboxylate?
The IUPAC name of methyl 3-methylsulfinylthiophene-2-carboxylate (CID 71387266) is methyl 3-methylsulfinylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methylsulfinylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-methylsulfinylthiophene-2-carboxylate is COC(=O)c1sccc1S(C)=O.
What is the InChIKey of methyl 3-methylsulfinylthiophene-2-carboxylate?
The InChIKey is ULAYIVDKZYXZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c1-10-7(8)6-5(12(2)9)3-4-11-6/h3-4H,1-2H3.
What are the key properties of methyl 3-methylsulfinylthiophene-2-carboxylate?
methyl 3-methylsulfinylthiophene-2-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylsulfinylthiophene-2-carboxylate is sourced from PubChem (CID 71387266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).