2,3-dimethylthiophene 1,1-dioxide

C6H8O2S — CID 70339732

IUPAC2,3-dimethylthiophene 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)C=C1
InChIInChI=1S/C6H8O2S/c1-5-3-4-9(7,8)6(5)2/h3-4H,1-2H3
InChIKeyUUJTURNQWVRAJU-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.22
Rot. Bonds

About 2,3-dimethylthiophene 1,1-dioxide

2,3-dimethylthiophene 1,1-dioxide (PubChem CID 70339732) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 2,3-dimethylthiophene 1,1-dioxide.

Molecular Properties

Compound Name2,3-dimethylthiophene 1,1-dioxide
PubChem CID70339732
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name2,3-dimethylthiophene 1,1-dioxide
SMILESCC1=C(C)S(=O)(=O)C=C1
InChIInChI=1S/C6H8O2S/c1-5-3-4-9(7,8)6(5)2/h3-4H,1-2H3
InChIKeyUUJTURNQWVRAJU-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylthiophene 1,1-dioxide?
The IUPAC name of 2,3-dimethylthiophene 1,1-dioxide (CID 70339732) is 2,3-dimethylthiophene 1,1-dioxide.
What is the SMILES notation for 2,3-dimethylthiophene 1,1-dioxide?
The canonical SMILES for 2,3-dimethylthiophene 1,1-dioxide is CC1=C(C)S(=O)(=O)C=C1.
What is the InChIKey of 2,3-dimethylthiophene 1,1-dioxide?
The InChIKey is UUJTURNQWVRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-5-3-4-9(7,8)6(5)2/h3-4H,1-2H3.
What are the key properties of 2,3-dimethylthiophene 1,1-dioxide?
2,3-dimethylthiophene 1,1-dioxide has a molecular weight of 144.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylthiophene 1,1-dioxide is sourced from PubChem (CID 70339732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).