3-[chloro(dimethyl)silyl]propane-1-sulfinate

C5H12ClO2SSi- — CID 25234185

IUPAC3-[chloro(dimethyl)silyl]propane-1-sulfinate
SMILESC[Si](C)(Cl)CCCS(=O)[O-]
InChIInChI=1S/C5H13ClO2SSi/c1-10(2,6)5-3-4-9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1
InChIKeyXCVHGMADRPRSFL-UHFFFAOYSA-M
MW199.75 g/mol
LogP1.70
Rot. Bonds4

About 3-[chloro(dimethyl)silyl]propane-1-sulfinate

3-[chloro(dimethyl)silyl]propane-1-sulfinate (PubChem CID 25234185) has the molecular formula C5H12ClO2SSi- and a molecular weight of 199.75 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propane-1-sulfinate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propane-1-sulfinate
PubChem CID25234185
Molecular FormulaC5H12ClO2SSi-
Molecular Weight199.75 g/mol
Exact Mass199.00
IUPAC Name3-[chloro(dimethyl)silyl]propane-1-sulfinate
SMILESC[Si](C)(Cl)CCCS(=O)[O-]
InChIInChI=1S/C5H13ClO2SSi/c1-10(2,6)5-3-4-9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1
InChIKeyXCVHGMADRPRSFL-UHFFFAOYSA-M
XLogP1.70
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.75
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propane-1-sulfinate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propane-1-sulfinate (CID 25234185) is 3-[chloro(dimethyl)silyl]propane-1-sulfinate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propane-1-sulfinate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propane-1-sulfinate is C[Si](C)(Cl)CCCS(=O)[O-].
What is the InChIKey of 3-[chloro(dimethyl)silyl]propane-1-sulfinate?
The InChIKey is XCVHGMADRPRSFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13ClO2SSi/c1-10(2,6)5-3-4-9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 3-[chloro(dimethyl)silyl]propane-1-sulfinate?
3-[chloro(dimethyl)silyl]propane-1-sulfinate has a molecular weight of 199.75 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propane-1-sulfinate is sourced from PubChem (CID 25234185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).