2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol

C11H14O2S — CID 174280168

IUPAC2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol
SMILESOCC=c1ccc(CS)cc1=CCO
InChIInChI=1S/C11H14O2S/c12-5-3-10-2-1-9(8-14)7-11(10)4-6-13/h1-4,7,12-14H,5-6,8H2
InChIKeyVEQJQEAQLVJGMV-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.34
Rot. Bonds3

About 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol

2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol (PubChem CID 174280168) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol
PubChem CID174280168
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol
SMILESOCC=c1ccc(CS)cc1=CCO
InChIInChI=1S/C11H14O2S/c12-5-3-10-2-1-9(8-14)7-11(10)4-6-13/h1-4,7,12-14H,5-6,8H2
InChIKeyVEQJQEAQLVJGMV-UHFFFAOYSA-N
XLogP-0.34
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol 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-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol?
The IUPAC name of 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol (CID 174280168) is 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol?
The canonical SMILES for 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol is OCC=c1ccc(CS)cc1=CCO.
What is the InChIKey of 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol?
The InChIKey is VEQJQEAQLVJGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-5-3-10-2-1-9(8-14)7-11(10)4-6-13/h1-4,7,12-14H,5-6,8H2.
What are the key properties of 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol?
2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol has a molecular weight of 210.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethylidene)-4-(sulfanylmethyl)cyclohexa-2,4-dien-1-ylidene]ethanol is sourced from PubChem (CID 174280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).