3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide

C4H4Cl2O2S — CID 14307120

IUPAC3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CC(Cl)=C(Cl)C1
InChIInChI=1S/C4H4Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h1-2H2
InChIKeyMNQNHLYXVCFGLU-UHFFFAOYSA-N
MW187.05 g/mol
LogP1.10
Rot. Bonds

About 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide

3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 14307120) has the molecular formula C4H4Cl2O2S and a molecular weight of 187.05 g/mol. Its IUPAC name is 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide
PubChem CID14307120
Molecular FormulaC4H4Cl2O2S
Molecular Weight187.05 g/mol
Exact Mass185.93
IUPAC Name3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CC(Cl)=C(Cl)C1
InChIInChI=1S/C4H4Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h1-2H2
InChIKeyMNQNHLYXVCFGLU-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.05
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide (CID 14307120) is 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide is O=S1(=O)CC(Cl)=C(Cl)C1.
What is the InChIKey of 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is MNQNHLYXVCFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h1-2H2.
What are the key properties of 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide?
3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 187.05 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 14307120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).