(Z)-2,4,6-trichlorohex-2-ene-1-thiol

C6H9Cl3S — CID 87200060

IUPAC(Z)-2,4,6-trichlorohex-2-ene-1-thiol
SMILESSC/C(Cl)=C/C(Cl)CCCl
InChIInChI=1S/C6H9Cl3S/c7-2-1-5(8)3-6(9)4-10/h3,5,10H,1-2,4H2/b6-3-
InChIKeyJOSRQVOPMOMLKO-UTCJRWHESA-N
MW219.56 g/mol
LogP3.28
Rot. Bonds4

About (Z)-2,4,6-trichlorohex-2-ene-1-thiol

(Z)-2,4,6-trichlorohex-2-ene-1-thiol (PubChem CID 87200060) has the molecular formula C6H9Cl3S and a molecular weight of 219.56 g/mol. Its IUPAC name is (Z)-2,4,6-trichlorohex-2-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2,4,6-trichlorohex-2-ene-1-thiol
PubChem CID87200060
Molecular FormulaC6H9Cl3S
Molecular Weight219.56 g/mol
Exact Mass217.95
IUPAC Name(Z)-2,4,6-trichlorohex-2-ene-1-thiol
SMILESSC/C(Cl)=C/C(Cl)CCCl
InChIInChI=1S/C6H9Cl3S/c7-2-1-5(8)3-6(9)4-10/h3,5,10H,1-2,4H2/b6-3-
InChIKeyJOSRQVOPMOMLKO-UTCJRWHESA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-2,4,6-trichlorohex-2-ene-1-thiol 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)-2,4,6-trichlorohex-2-ene-1-thiol?
The IUPAC name of (Z)-2,4,6-trichlorohex-2-ene-1-thiol (CID 87200060) is (Z)-2,4,6-trichlorohex-2-ene-1-thiol.
What is the SMILES notation for (Z)-2,4,6-trichlorohex-2-ene-1-thiol?
The canonical SMILES for (Z)-2,4,6-trichlorohex-2-ene-1-thiol is SC/C(Cl)=C/C(Cl)CCCl.
What is the InChIKey of (Z)-2,4,6-trichlorohex-2-ene-1-thiol?
The InChIKey is JOSRQVOPMOMLKO-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9Cl3S/c7-2-1-5(8)3-6(9)4-10/h3,5,10H,1-2,4H2/b6-3-.
What are the key properties of (Z)-2,4,6-trichlorohex-2-ene-1-thiol?
(Z)-2,4,6-trichlorohex-2-ene-1-thiol has a molecular weight of 219.56 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,6-trichlorohex-2-ene-1-thiol is sourced from PubChem (CID 87200060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).