9H-fluorene-9-sulfinate

C13H9O2S- — CID 175197290

IUPAC9H-fluorene-9-sulfinate
SMILESO=S([O-])C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2S/c14-16(15)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,14,15)/p-1
InChIKeyMWTNSQCUEDDPDI-UHFFFAOYSA-M
MW229.28 g/mol
LogP2.64
Rot. Bonds1

About 9H-fluorene-9-sulfinate

9H-fluorene-9-sulfinate (PubChem CID 175197290) has the molecular formula C13H9O2S- and a molecular weight of 229.28 g/mol. Its IUPAC name is 9H-fluorene-9-sulfinate.

Molecular Properties

Compound Name9H-fluorene-9-sulfinate
PubChem CID175197290
Molecular FormulaC13H9O2S-
Molecular Weight229.28 g/mol
Exact Mass229.03
IUPAC Name9H-fluorene-9-sulfinate
SMILESO=S([O-])C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2S/c14-16(15)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,14,15)/p-1
InChIKeyMWTNSQCUEDDPDI-UHFFFAOYSA-M
XLogP2.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9H-fluorene-9-sulfinate 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 9H-fluorene-9-sulfinate?
The IUPAC name of 9H-fluorene-9-sulfinate (CID 175197290) is 9H-fluorene-9-sulfinate.
What is the SMILES notation for 9H-fluorene-9-sulfinate?
The canonical SMILES for 9H-fluorene-9-sulfinate is O=S([O-])C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluorene-9-sulfinate?
The InChIKey is MWTNSQCUEDDPDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O2S/c14-16(15)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,14,15)/p-1.
What are the key properties of 9H-fluorene-9-sulfinate?
9H-fluorene-9-sulfinate has a molecular weight of 229.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-9-sulfinate is sourced from PubChem (CID 175197290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).