1,1,2,2-tetrachloroethanethiol

C2H2Cl4S — CID 57290267

IUPAC1,1,2,2-tetrachloroethanethiol
SMILESSC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H2Cl4S/c3-1(4)2(5,6)7/h1,7H
InChIKeyPSTTYJZNBCGVLS-UHFFFAOYSA-N
MW199.92 g/mol
LogP2.85
Rot. Bonds1

About 1,1,2,2-tetrachloroethanethiol

1,1,2,2-tetrachloroethanethiol (PubChem CID 57290267) has the molecular formula C2H2Cl4S and a molecular weight of 199.92 g/mol. Its IUPAC name is 1,1,2,2-tetrachloroethanethiol.

Molecular Properties

Compound Name1,1,2,2-tetrachloroethanethiol
PubChem CID57290267
Molecular FormulaC2H2Cl4S
Molecular Weight199.92 g/mol
Exact Mass197.86
IUPAC Name1,1,2,2-tetrachloroethanethiol
SMILESSC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H2Cl4S/c3-1(4)2(5,6)7/h1,7H
InChIKeyPSTTYJZNBCGVLS-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.92
LogP ≤ 52.85
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 1,1,2,2-tetrachloroethanethiol 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 1,1,2,2-tetrachloroethanethiol?
The IUPAC name of 1,1,2,2-tetrachloroethanethiol (CID 57290267) is 1,1,2,2-tetrachloroethanethiol.
What is the SMILES notation for 1,1,2,2-tetrachloroethanethiol?
The canonical SMILES for 1,1,2,2-tetrachloroethanethiol is SC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachloroethanethiol?
The InChIKey is PSTTYJZNBCGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl4S/c3-1(4)2(5,6)7/h1,7H.
What are the key properties of 1,1,2,2-tetrachloroethanethiol?
1,1,2,2-tetrachloroethanethiol has a molecular weight of 199.92 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloroethanethiol is sourced from PubChem (CID 57290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).