2-trihydroxysilylpropane-1-sulfonic acid

C3H10O6SSi — CID 87750913

IUPAC2-trihydroxysilylpropane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)[Si](O)(O)O
InChIInChI=1S/C3H10O6SSi/c1-3(11(7,8)9)2-10(4,5)6/h3,7-9H,2H2,1H3,(H,4,5,6)
InChIKeyYUGFMNVQZXFACG-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.82
Rot. Bonds3

About 2-trihydroxysilylpropane-1-sulfonic acid

2-trihydroxysilylpropane-1-sulfonic acid (PubChem CID 87750913) has the molecular formula C3H10O6SSi and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-trihydroxysilylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-trihydroxysilylpropane-1-sulfonic acid
PubChem CID87750913
Molecular FormulaC3H10O6SSi
Molecular Weight202.26 g/mol
Exact Mass202.00
IUPAC Name2-trihydroxysilylpropane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)[Si](O)(O)O
InChIInChI=1S/C3H10O6SSi/c1-3(11(7,8)9)2-10(4,5)6/h3,7-9H,2H2,1H3,(H,4,5,6)
InChIKeyYUGFMNVQZXFACG-UHFFFAOYSA-N
XLogP-1.82
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylpropane-1-sulfonic acid
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CID 87204647
CID 87204647
methanamine;2-methylpropane-1-sulfonic acid
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2,3-bis(sulfanyl)butane-1-sulfonic acid
CID 18953174
2-methyl-3-oxobutane-1-sulfonic acid
CID 174550329
3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
2-amino-3-hydroxybutane-1-sulfonic acid
CID 15294686
2-methylbutane-1,4-disulfonic acid
CID 23460781
sodium 2-methyl-3-sulfopropan-1-olate
CID 141285329
2-ethylpropane-1,3-disulfonic acid
CID 58983775
sulfuric acid;tetramethylphosphanium
CID 87132357

Frequently Asked Questions

What is the IUPAC name of 2-trihydroxysilylpropane-1-sulfonic acid?
The IUPAC name of 2-trihydroxysilylpropane-1-sulfonic acid (CID 87750913) is 2-trihydroxysilylpropane-1-sulfonic acid.
What is the SMILES notation for 2-trihydroxysilylpropane-1-sulfonic acid?
The canonical SMILES for 2-trihydroxysilylpropane-1-sulfonic acid is CC(CS(=O)(=O)O)[Si](O)(O)O.
What is the InChIKey of 2-trihydroxysilylpropane-1-sulfonic acid?
The InChIKey is YUGFMNVQZXFACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O6SSi/c1-3(11(7,8)9)2-10(4,5)6/h3,7-9H,2H2,1H3,(H,4,5,6).
What are the key properties of 2-trihydroxysilylpropane-1-sulfonic acid?
2-trihydroxysilylpropane-1-sulfonic acid has a molecular weight of 202.26 g/mol, XLogP of -1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trihydroxysilylpropane-1-sulfonic acid is sourced from PubChem (CID 87750913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).