4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene

C8H10Cl4S — CID 159713314

IUPAC4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene
SMILESClC(Cl)CC=CSC=CCC(Cl)Cl
InChIInChI=1S/C8H10Cl4S/c9-7(10)3-1-5-13-6-2-4-8(11)12/h1-2,5-8H,3-4H2
InChIKeyMZCQLLKXEZYBRM-UHFFFAOYSA-N
MW280.05 g/mol
LogP5.13
Rot. Bonds6

About 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene

4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene (PubChem CID 159713314) has the molecular formula C8H10Cl4S and a molecular weight of 280.05 g/mol. Its IUPAC name is 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene.

Molecular Properties

Compound Name4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene
PubChem CID159713314
Molecular FormulaC8H10Cl4S
Molecular Weight280.05 g/mol
Exact Mass277.93
IUPAC Name4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene
SMILESClC(Cl)CC=CSC=CCC(Cl)Cl
InChIInChI=1S/C8H10Cl4S/c9-7(10)3-1-5-13-6-2-4-8(11)12/h1-2,5-8H,3-4H2
InChIKeyMZCQLLKXEZYBRM-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.05
LogP ≤ 55.13
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 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene?
The IUPAC name of 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene (CID 159713314) is 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene.
What is the SMILES notation for 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene?
The canonical SMILES for 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene is ClC(Cl)CC=CSC=CCC(Cl)Cl.
What is the InChIKey of 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene?
The InChIKey is MZCQLLKXEZYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4S/c9-7(10)3-1-5-13-6-2-4-8(11)12/h1-2,5-8H,3-4H2.
What are the key properties of 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene?
4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene has a molecular weight of 280.05 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1-(4,4-dichlorobut-1-enylsulfanyl)but-1-ene is sourced from PubChem (CID 159713314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).