2,3-dichloro-2,5-dihydrothiophene

C4H4Cl2S — CID 141096754

IUPAC2,3-dichloro-2,5-dihydrothiophene
SMILESClC1=CCSC1Cl
InChIInChI=1S/C4H4Cl2S/c5-3-1-2-7-4(3)6/h1,4H,2H2
InChIKeySFACFWCSEZUBHK-UHFFFAOYSA-N
MW155.05 g/mol
LogP2.42
Rot. Bonds

About 2,3-dichloro-2,5-dihydrothiophene

2,3-dichloro-2,5-dihydrothiophene (PubChem CID 141096754) has the molecular formula C4H4Cl2S and a molecular weight of 155.05 g/mol. Its IUPAC name is 2,3-dichloro-2,5-dihydrothiophene.

Molecular Properties

Compound Name2,3-dichloro-2,5-dihydrothiophene
PubChem CID141096754
Molecular FormulaC4H4Cl2S
Molecular Weight155.05 g/mol
Exact Mass153.94
IUPAC Name2,3-dichloro-2,5-dihydrothiophene
SMILESClC1=CCSC1Cl
InChIInChI=1S/C4H4Cl2S/c5-3-1-2-7-4(3)6/h1,4H,2H2
InChIKeySFACFWCSEZUBHK-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2,5-dihydrothiophene?
The IUPAC name of 2,3-dichloro-2,5-dihydrothiophene (CID 141096754) is 2,3-dichloro-2,5-dihydrothiophene.
What is the SMILES notation for 2,3-dichloro-2,5-dihydrothiophene?
The canonical SMILES for 2,3-dichloro-2,5-dihydrothiophene is ClC1=CCSC1Cl.
What is the InChIKey of 2,3-dichloro-2,5-dihydrothiophene?
The InChIKey is SFACFWCSEZUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2S/c5-3-1-2-7-4(3)6/h1,4H,2H2.
What are the key properties of 2,3-dichloro-2,5-dihydrothiophene?
2,3-dichloro-2,5-dihydrothiophene has a molecular weight of 155.05 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2,5-dihydrothiophene is sourced from PubChem (CID 141096754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).