(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene

C6H8Cl4S — CID 134893894

IUPAC(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene
SMILESC/C=C\CSC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl4S/c1-2-3-4-11-5(7)6(8,9)10/h2-3,5H,4H2,1H3/b3-2-
InChIKeyLUGXAXHIXNUQLJ-IHWYPQMZSA-N
MW254.01 g/mol
LogP4.23
Rot. Bonds3

About (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene

(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene (PubChem CID 134893894) has the molecular formula C6H8Cl4S and a molecular weight of 254.01 g/mol. Its IUPAC name is (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene
PubChem CID134893894
Molecular FormulaC6H8Cl4S
Molecular Weight254.01 g/mol
Exact Mass251.91
IUPAC Name(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene
SMILESC/C=C\CSC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl4S/c1-2-3-4-11-5(7)6(8,9)10/h2-3,5H,4H2,1H3/b3-2-
InChIKeyLUGXAXHIXNUQLJ-IHWYPQMZSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.01
LogP ≤ 54.23
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'}

Analyze (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene 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 (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene?
The IUPAC name of (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene (CID 134893894) is (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene.
What is the SMILES notation for (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene?
The canonical SMILES for (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene is C/C=C\CSC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene?
The InChIKey is LUGXAXHIXNUQLJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H8Cl4S/c1-2-3-4-11-5(7)6(8,9)10/h2-3,5H,4H2,1H3/b3-2-.
What are the key properties of (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene?
(Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene has a molecular weight of 254.01 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2,2,2-tetrachloroethylsulfanyl)but-2-ene is sourced from PubChem (CID 134893894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).