1-trimethylsilylethanesulfinic acid

C5H14O2SSi — CID 12705343

IUPAC1-trimethylsilylethanesulfinic acid
SMILESCC(S(=O)O)[Si](C)(C)C
InChIInChI=1S/C5H14O2SSi/c1-5(8(6)7)9(2,3)4/h5H,1-4H3,(H,6,7)
InChIKeyAWSIHRHBMWGBFQ-UHFFFAOYSA-N
MW166.32 g/mol
LogP1.47
Rot. Bonds2

About 1-trimethylsilylethanesulfinic acid

1-trimethylsilylethanesulfinic acid (PubChem CID 12705343) has the molecular formula C5H14O2SSi and a molecular weight of 166.32 g/mol. Its IUPAC name is 1-trimethylsilylethanesulfinic acid.

Molecular Properties

Compound Name1-trimethylsilylethanesulfinic acid
PubChem CID12705343
Molecular FormulaC5H14O2SSi
Molecular Weight166.32 g/mol
Exact Mass166.05
IUPAC Name1-trimethylsilylethanesulfinic acid
SMILESCC(S(=O)O)[Si](C)(C)C
InChIInChI=1S/C5H14O2SSi/c1-5(8(6)7)9(2,3)4/h5H,1-4H3,(H,6,7)
InChIKeyAWSIHRHBMWGBFQ-UHFFFAOYSA-N
XLogP1.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,1-disulfinic acid
CID 56623500
1-sulfanylethanesulfinic acid
CID 57298371
2,7-dimethyloctane-3,6-disulfinic acid
CID 57011759
1-hydroxypropane-2-sulfinic acid
CID 57120946
butane-2-sulfinic acid
CID 12672761
1,2-dichloropropane-1-sulfinic acid
CID 174269060
propan-2-ol;sulfur trioxide
CID 174853571
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
4-methoxybutane-2-sulfinic acid
CID 165449542
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
difluoromethanesulfinic acid;zinc
CID 140809876

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylethanesulfinic acid?
The IUPAC name of 1-trimethylsilylethanesulfinic acid (CID 12705343) is 1-trimethylsilylethanesulfinic acid.
What is the SMILES notation for 1-trimethylsilylethanesulfinic acid?
The canonical SMILES for 1-trimethylsilylethanesulfinic acid is CC(S(=O)O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethanesulfinic acid?
The InChIKey is AWSIHRHBMWGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2SSi/c1-5(8(6)7)9(2,3)4/h5H,1-4H3,(H,6,7).
What are the key properties of 1-trimethylsilylethanesulfinic acid?
1-trimethylsilylethanesulfinic acid has a molecular weight of 166.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethanesulfinic acid is sourced from PubChem (CID 12705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).