methyl 2-methylsulfonylthiophene-3-carboxylate

C7H8O4S2 — CID 166260160

IUPACmethyl 2-methylsulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1S(C)(=O)=O
InChIInChI=1S/C7H8O4S2/c1-11-6(8)5-3-4-12-7(5)13(2,9)10/h3-4H,1-2H3
InChIKeyUHZKYYAAGXMYAM-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-methylsulfonylthiophene-3-carboxylate

methyl 2-methylsulfonylthiophene-3-carboxylate (PubChem CID 166260160) has the molecular formula C7H8O4S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-methylsulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylsulfonylthiophene-3-carboxylate
PubChem CID166260160
Molecular FormulaC7H8O4S2
Molecular Weight220.27 g/mol
Exact Mass219.99
IUPAC Namemethyl 2-methylsulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1S(C)(=O)=O
InChIInChI=1S/C7H8O4S2/c1-11-6(8)5-3-4-12-7(5)13(2,9)10/h3-4H,1-2H3
InChIKeyUHZKYYAAGXMYAM-UHFFFAOYSA-N
XLogP0.94
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfonylthiophene-3-carboxylate?
The IUPAC name of methyl 2-methylsulfonylthiophene-3-carboxylate (CID 166260160) is methyl 2-methylsulfonylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-methylsulfonylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-methylsulfonylthiophene-3-carboxylate is COC(=O)c1ccsc1S(C)(=O)=O.
What is the InChIKey of methyl 2-methylsulfonylthiophene-3-carboxylate?
The InChIKey is UHZKYYAAGXMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S2/c1-11-6(8)5-3-4-12-7(5)13(2,9)10/h3-4H,1-2H3.
What are the key properties of methyl 2-methylsulfonylthiophene-3-carboxylate?
methyl 2-methylsulfonylthiophene-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfonylthiophene-3-carboxylate is sourced from PubChem (CID 166260160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).