3-methoxy-2-methylsulfonylthiophene

C6H8O3S2 — CID 59654410

IUPAC3-methoxy-2-methylsulfonylthiophene
SMILESCOc1ccsc1S(C)(=O)=O
InChIInChI=1S/C6H8O3S2/c1-9-5-3-4-10-6(5)11(2,7)8/h3-4H,1-2H3
InChIKeyLOHNNUARUCXXMX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.16
Rot. Bonds2

About 3-methoxy-2-methylsulfonylthiophene

3-methoxy-2-methylsulfonylthiophene (PubChem CID 59654410) has the molecular formula C6H8O3S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methoxy-2-methylsulfonylthiophene.

Molecular Properties

Compound Name3-methoxy-2-methylsulfonylthiophene
PubChem CID59654410
Molecular FormulaC6H8O3S2
Molecular Weight192.26 g/mol
Exact Mass191.99
IUPAC Name3-methoxy-2-methylsulfonylthiophene
SMILESCOc1ccsc1S(C)(=O)=O
InChIInChI=1S/C6H8O3S2/c1-9-5-3-4-10-6(5)11(2,7)8/h3-4H,1-2H3
InChIKeyLOHNNUARUCXXMX-UHFFFAOYSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylsulfonylthiophene?
The IUPAC name of 3-methoxy-2-methylsulfonylthiophene (CID 59654410) is 3-methoxy-2-methylsulfonylthiophene.
What is the SMILES notation for 3-methoxy-2-methylsulfonylthiophene?
The canonical SMILES for 3-methoxy-2-methylsulfonylthiophene is COc1ccsc1S(C)(=O)=O.
What is the InChIKey of 3-methoxy-2-methylsulfonylthiophene?
The InChIKey is LOHNNUARUCXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3S2/c1-9-5-3-4-10-6(5)11(2,7)8/h3-4H,1-2H3.
What are the key properties of 3-methoxy-2-methylsulfonylthiophene?
3-methoxy-2-methylsulfonylthiophene has a molecular weight of 192.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylsulfonylthiophene is sourced from PubChem (CID 59654410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).