1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane

C6H10Cl4O2S — CID 88796251

IUPAC1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane
SMILESO=S(=O)(C(Cl)CCCl)C(Cl)CCCl
InChIInChI=1S/C6H10Cl4O2S/c7-3-1-5(9)13(11,12)6(10)2-4-8/h5-6H,1-4H2
InChIKeyZCPYWUZYRJZBKC-UHFFFAOYSA-N
MW288.02 g/mol
LogP2.79
Rot. Bonds6

About 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane

1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane (PubChem CID 88796251) has the molecular formula C6H10Cl4O2S and a molecular weight of 288.02 g/mol. Its IUPAC name is 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane.

Molecular Properties

Compound Name1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane
PubChem CID88796251
Molecular FormulaC6H10Cl4O2S
Molecular Weight288.02 g/mol
Exact Mass285.92
IUPAC Name1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane
SMILESO=S(=O)(C(Cl)CCCl)C(Cl)CCCl
InChIInChI=1S/C6H10Cl4O2S/c7-3-1-5(9)13(11,12)6(10)2-4-8/h5-6H,1-4H2
InChIKeyZCPYWUZYRJZBKC-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane?
The IUPAC name of 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane (CID 88796251) is 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane.
What is the SMILES notation for 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane?
The canonical SMILES for 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane is O=S(=O)(C(Cl)CCCl)C(Cl)CCCl.
What is the InChIKey of 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane?
The InChIKey is ZCPYWUZYRJZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4O2S/c7-3-1-5(9)13(11,12)6(10)2-4-8/h5-6H,1-4H2.
What are the key properties of 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane?
1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane has a molecular weight of 288.02 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane is sourced from PubChem (CID 88796251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).