2-Chloro-2,5-dihydrothiophene

C₄H₅ClS — CID 173053386

About 2-Chloro-2,5-dihydrothiophene

2-Chloro-2,5-dihydrothiophene (PubChem CID 173053386) has the molecular formula C₄H₅ClS and a molecular weight of 120.60 g/mol. Its IUPAC name is 2-chloro-2,5-dihydrothiophene.

Molecular Properties

• Compound Name: 2-Chloro-2,5-dihydrothiophene
• PubChem CID: 173053386
• Molecular Formula: C₄H₅ClS
• Molecular Weight: 120.60 g/mol
• Exact Mass: 119.98
• IUPAC Name: 2-chloro-2,5-dihydrothiophene
• SMILES: ClC1C=CCS1
• InChI: InChI=1S/C4H5ClS/c5-4-2-1-3-6-4/h1-2,4H,3H2
• InChIKey: SAKVXVSEDDCIDT-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	120.60
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-2,5-dihydrothiophene?

The IUPAC name of 2-Chloro-2,5-dihydrothiophene (CID 173053386) is 2-chloro-2,5-dihydrothiophene.

What is the SMILES notation for 2-Chloro-2,5-dihydrothiophene?

The canonical SMILES for 2-Chloro-2,5-dihydrothiophene is ClC1C=CCS1.

What is the InChIKey of 2-Chloro-2,5-dihydrothiophene?

The InChIKey is SAKVXVSEDDCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClS/c5-4-2-1-3-6-4/h1-2,4H,3H2.

What are the key properties of 2-Chloro-2,5-dihydrothiophene?

2-Chloro-2,5-dihydrothiophene has a molecular weight of 120.60 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Chloro-2,5-dihydrothiophene is sourced from PubChem (CID 173053386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173053386 — identifiers, structure, computed properties (public domain)

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