dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium

C11H13O2S+ — CID 22974592

IUPACdimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
SMILESC[S+](C)C1COc2ccccc2C1=O
InChIInChI=1S/C11H13O2S/c1-14(2)10-7-13-9-6-4-3-5-8(9)11(10)12/h3-6,10H,7H2,1-2H3/q+1
InChIKeySZDHSNMKZCLMLO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.51
Rot. Bonds1

About dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium

dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium (PubChem CID 22974592) has the molecular formula C11H13O2S+ and a molecular weight of 209.29 g/mol. Its IUPAC name is dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium.

Molecular Properties

Compound Namedimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
PubChem CID22974592
Molecular FormulaC11H13O2S+
Molecular Weight209.29 g/mol
Exact Mass209.06
IUPAC Namedimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
SMILESC[S+](C)C1COc2ccccc2C1=O
InChIInChI=1S/C11H13O2S/c1-14(2)10-7-13-9-6-4-3-5-8(9)11(10)12/h3-6,10H,7H2,1-2H3/q+1
InChIKeySZDHSNMKZCLMLO-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium 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 dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium?
The IUPAC name of dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium (CID 22974592) is dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium.
What is the SMILES notation for dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium?
The canonical SMILES for dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium is C[S+](C)C1COc2ccccc2C1=O.
What is the InChIKey of dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium?
The InChIKey is SZDHSNMKZCLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2S/c1-14(2)10-7-13-9-6-4-3-5-8(9)11(10)12/h3-6,10H,7H2,1-2H3/q+1.
What are the key properties of dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium?
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium has a molecular weight of 209.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium is sourced from PubChem (CID 22974592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).