2,5-bis(chloromethyl)-2,5-dihydrothiophene

C6H8Cl2S — CID 134896615

IUPAC2,5-bis(chloromethyl)-2,5-dihydrothiophene
SMILESClCC1C=CC(CCl)S1
InChIInChI=1S/C6H8Cl2S/c7-3-5-1-2-6(4-8)9-5/h1-2,5-6H,3-4H2
InChIKeyJLXYLKJSBAUIQL-UHFFFAOYSA-N
MW183.10 g/mol
LogP2.50
Rot. Bonds2

About 2,5-bis(chloromethyl)-2,5-dihydrothiophene

2,5-bis(chloromethyl)-2,5-dihydrothiophene (PubChem CID 134896615) has the molecular formula C6H8Cl2S and a molecular weight of 183.10 g/mol. Its IUPAC name is 2,5-bis(chloromethyl)-2,5-dihydrothiophene.

Molecular Properties

Compound Name2,5-bis(chloromethyl)-2,5-dihydrothiophene
PubChem CID134896615
Molecular FormulaC6H8Cl2S
Molecular Weight183.10 g/mol
Exact Mass181.97
IUPAC Name2,5-bis(chloromethyl)-2,5-dihydrothiophene
SMILESClCC1C=CC(CCl)S1
InChIInChI=1S/C6H8Cl2S/c7-3-5-1-2-6(4-8)9-5/h1-2,5-6H,3-4H2
InChIKeyJLXYLKJSBAUIQL-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(chloromethyl)-2,5-dihydrothiophene?
The IUPAC name of 2,5-bis(chloromethyl)-2,5-dihydrothiophene (CID 134896615) is 2,5-bis(chloromethyl)-2,5-dihydrothiophene.
What is the SMILES notation for 2,5-bis(chloromethyl)-2,5-dihydrothiophene?
The canonical SMILES for 2,5-bis(chloromethyl)-2,5-dihydrothiophene is ClCC1C=CC(CCl)S1.
What is the InChIKey of 2,5-bis(chloromethyl)-2,5-dihydrothiophene?
The InChIKey is JLXYLKJSBAUIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2S/c7-3-5-1-2-6(4-8)9-5/h1-2,5-6H,3-4H2.
What are the key properties of 2,5-bis(chloromethyl)-2,5-dihydrothiophene?
2,5-bis(chloromethyl)-2,5-dihydrothiophene has a molecular weight of 183.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(chloromethyl)-2,5-dihydrothiophene is sourced from PubChem (CID 134896615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).