2-thioxanthen-9-ylideneethanol

C15H12OS — CID 19261657

IUPAC2-thioxanthen-9-ylideneethanol
SMILESOCC=C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H12OS/c16-10-9-11-12-5-1-3-7-14(12)17-15-8-4-2-6-13(11)15/h1-9,16H,10H2
InChIKeyNSBZTPCGOHAEHL-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.58
Rot. Bonds1

About 2-thioxanthen-9-ylideneethanol

2-thioxanthen-9-ylideneethanol (PubChem CID 19261657) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-thioxanthen-9-ylideneethanol.

Molecular Properties

Compound Name2-thioxanthen-9-ylideneethanol
PubChem CID19261657
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-thioxanthen-9-ylideneethanol
SMILESOCC=C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H12OS/c16-10-9-11-12-5-1-3-7-14(12)17-15-8-4-2-6-13(11)15/h1-9,16H,10H2
InChIKeyNSBZTPCGOHAEHL-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 2-thioxanthen-9-ylideneethanol 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-thioxanthen-9-ylideneethanol?
The IUPAC name of 2-thioxanthen-9-ylideneethanol (CID 19261657) is 2-thioxanthen-9-ylideneethanol.
What is the SMILES notation for 2-thioxanthen-9-ylideneethanol?
The canonical SMILES for 2-thioxanthen-9-ylideneethanol is OCC=C1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-thioxanthen-9-ylideneethanol?
The InChIKey is NSBZTPCGOHAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c16-10-9-11-12-5-1-3-7-14(12)17-15-8-4-2-6-13(11)15/h1-9,16H,10H2.
What are the key properties of 2-thioxanthen-9-ylideneethanol?
2-thioxanthen-9-ylideneethanol has a molecular weight of 240.33 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thioxanthen-9-ylideneethanol is sourced from PubChem (CID 19261657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).