2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol

C12H10Cl4O2S — CID 70363496

IUPAC2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
SMILESOC1C(Cl)=CC=CC1(Cl)SC1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C12H10Cl4O2S/c13-7-3-1-5-11(15,9(7)17)19-12(16)6-2-4-8(14)10(12)18/h1-6,9-10,17-18H
InChIKeyJRKBQWIBQIYMGQ-UHFFFAOYSA-N
MW360.09 g/mol
LogP3.70
Rot. Bonds2

About 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol

2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol (PubChem CID 70363496) has the molecular formula C12H10Cl4O2S and a molecular weight of 360.09 g/mol. Its IUPAC name is 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
PubChem CID70363496
Molecular FormulaC12H10Cl4O2S
Molecular Weight360.09 g/mol
Exact Mass357.92
IUPAC Name2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
SMILESOC1C(Cl)=CC=CC1(Cl)SC1(Cl)C=CC=C(Cl)C1O
InChIInChI=1S/C12H10Cl4O2S/c13-7-3-1-5-11(15,9(7)17)19-12(16)6-2-4-8(14)10(12)18/h1-6,9-10,17-18H
InChIKeyJRKBQWIBQIYMGQ-UHFFFAOYSA-N
XLogP3.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol 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 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol (CID 70363496) is 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol is OC1C(Cl)=CC=CC1(Cl)SC1(Cl)C=CC=C(Cl)C1O.
What is the InChIKey of 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol?
The InChIKey is JRKBQWIBQIYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4O2S/c13-7-3-1-5-11(15,9(7)17)19-12(16)6-2-4-8(14)10(12)18/h1-6,9-10,17-18H.
What are the key properties of 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol?
2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol has a molecular weight of 360.09 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70363496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).