2,3-dihydrothiophene 1,1-dioxide

C4H6O2S — CID 14497

IUPAC2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CCC1
InChIInChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChIKeyDYGJDTCGUUMUBL-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.32
Rot. Bonds

About 2,3-dihydrothiophene 1,1-dioxide

2,3-dihydrothiophene 1,1-dioxide (PubChem CID 14497) has the molecular formula C4H6O2S and a molecular weight of 118.16 g/mol. Its IUPAC name is 2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name2,3-dihydrothiophene 1,1-dioxide
PubChem CID14497
Molecular FormulaC4H6O2S
Molecular Weight118.16 g/mol
Exact Mass118.01
IUPAC Name2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CCC1
InChIInChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChIKeyDYGJDTCGUUMUBL-UHFFFAOYSA-N
XLogP0.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 2,3-dihydrothiophene 1,1-dioxide (CID 14497) is 2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CCC1.
What is the InChIKey of 2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is DYGJDTCGUUMUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2.
What are the key properties of 2,3-dihydrothiophene 1,1-dioxide?
2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 118.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 14497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).