3-methyl-1H-indene-1-sulfinate;trimethylstannanylium

C13H18O2SSn — CID 23265758

IUPAC3-methyl-1H-indene-1-sulfinate;trimethylstannanylium
SMILESCC1=CC(S(=O)[O-])c2ccccc21.C[Sn+](C)C
InChIInChI=1S/C10H10O2S.3CH3.Sn/c1-7-6-10(13(11)12)9-5-3-2-4-8(7)9;;;;/h2-6,10H,1H3,(H,11,12);3*1H3;/q;;;;+1/p-1
InChIKeyWAXNWECMWYNWPF-UHFFFAOYSA-M
MW357.06 g/mol
LogP3.39
Rot. Bonds1

About 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium

3-methyl-1H-indene-1-sulfinate;trimethylstannanylium (PubChem CID 23265758) has the molecular formula C13H18O2SSn and a molecular weight of 357.06 g/mol. Its IUPAC name is 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium.

Molecular Properties

Compound Name3-methyl-1H-indene-1-sulfinate;trimethylstannanylium
PubChem CID23265758
Molecular FormulaC13H18O2SSn
Molecular Weight357.06 g/mol
Exact Mass358.00
IUPAC Name3-methyl-1H-indene-1-sulfinate;trimethylstannanylium
SMILESCC1=CC(S(=O)[O-])c2ccccc21.C[Sn+](C)C
InChIInChI=1S/C10H10O2S.3CH3.Sn/c1-7-6-10(13(11)12)9-5-3-2-4-8(7)9;;;;/h2-6,10H,1H3,(H,11,12);3*1H3;/q;;;;+1/p-1
InChIKeyWAXNWECMWYNWPF-UHFFFAOYSA-M
XLogP3.39
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium?
The IUPAC name of 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium (CID 23265758) is 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium.
What is the SMILES notation for 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium?
The canonical SMILES for 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium is CC1=CC(S(=O)[O-])c2ccccc21.C[Sn+](C)C.
What is the InChIKey of 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium?
The InChIKey is WAXNWECMWYNWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2S.3CH3.Sn/c1-7-6-10(13(11)12)9-5-3-2-4-8(7)9;;;;/h2-6,10H,1H3,(H,11,12);3*1H3;/q;;;;+1/p-1.
What are the key properties of 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium?
3-methyl-1H-indene-1-sulfinate;trimethylstannanylium has a molecular weight of 357.06 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-indene-1-sulfinate;trimethylstannanylium is sourced from PubChem (CID 23265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).