sodium;thiophene;phenoxide

C10H9NaOS — CID 163672005

IUPACsodium;thiophene;phenoxide
SMILES[Na+].[O-]c1ccccc1.c1ccsc1
InChIInChI=1S/C6H6O.C4H4S.Na/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5,7H;1-4H;/q;;+1/p-1
InChIKeyJDJGYHUFNIRXEF-UHFFFAOYSA-M
MW200.24 g/mol
LogP-0.49
Rot. Bonds

About sodium;thiophene;phenoxide

sodium;thiophene;phenoxide (PubChem CID 163672005) has the molecular formula C10H9NaOS and a molecular weight of 200.24 g/mol. Its IUPAC name is sodium;thiophene;phenoxide.

Molecular Properties

Compound Namesodium;thiophene;phenoxide
PubChem CID163672005
Molecular FormulaC10H9NaOS
Molecular Weight200.24 g/mol
Exact Mass200.03
IUPAC Namesodium;thiophene;phenoxide
SMILES[Na+].[O-]c1ccccc1.c1ccsc1
InChIInChI=1S/C6H6O.C4H4S.Na/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5,7H;1-4H;/q;;+1/p-1
InChIKeyJDJGYHUFNIRXEF-UHFFFAOYSA-M
XLogP-0.49
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium;thiophene;phenoxide 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 sodium;thiophene;phenoxide?
The IUPAC name of sodium;thiophene;phenoxide (CID 163672005) is sodium;thiophene;phenoxide.
What is the SMILES notation for sodium;thiophene;phenoxide?
The canonical SMILES for sodium;thiophene;phenoxide is [Na+].[O-]c1ccccc1.c1ccsc1.
What is the InChIKey of sodium;thiophene;phenoxide?
The InChIKey is JDJGYHUFNIRXEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.C4H4S.Na/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5,7H;1-4H;/q;;+1/p-1.
What are the key properties of sodium;thiophene;phenoxide?
sodium;thiophene;phenoxide has a molecular weight of 200.24 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;thiophene;phenoxide is sourced from PubChem (CID 163672005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).