phenylsilyl sulfite

C6H7O3SSi- — CID 175038325

IUPACphenylsilyl sulfite
SMILESO=S([O-])O[SiH2]c1ccccc1
InChIInChI=1S/C6H8O3SSi/c7-10(8)9-11-6-4-2-1-3-5-6/h1-5H,11H2,(H,7,8)/p-1
InChIKeyMTVUUOGCFJYZGO-UHFFFAOYSA-M
MW187.27 g/mol
LogP-0.79
Rot. Bonds3

About phenylsilyl sulfite

phenylsilyl sulfite (PubChem CID 175038325) has the molecular formula C6H7O3SSi- and a molecular weight of 187.27 g/mol. Its IUPAC name is phenylsilyl sulfite.

Molecular Properties

Compound Namephenylsilyl sulfite
PubChem CID175038325
Molecular FormulaC6H7O3SSi-
Molecular Weight187.27 g/mol
Exact Mass186.99
IUPAC Namephenylsilyl sulfite
SMILESO=S([O-])O[SiH2]c1ccccc1
InChIInChI=1S/C6H8O3SSi/c7-10(8)9-11-6-4-2-1-3-5-6/h1-5H,11H2,(H,7,8)/p-1
InChIKeyMTVUUOGCFJYZGO-UHFFFAOYSA-M
XLogP-0.79
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylsilyl sulfite?
The IUPAC name of phenylsilyl sulfite (CID 175038325) is phenylsilyl sulfite.
What is the SMILES notation for phenylsilyl sulfite?
The canonical SMILES for phenylsilyl sulfite is O=S([O-])O[SiH2]c1ccccc1.
What is the InChIKey of phenylsilyl sulfite?
The InChIKey is MTVUUOGCFJYZGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O3SSi/c7-10(8)9-11-6-4-2-1-3-5-6/h1-5H,11H2,(H,7,8)/p-1.
What are the key properties of phenylsilyl sulfite?
phenylsilyl sulfite has a molecular weight of 187.27 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsilyl sulfite is sourced from PubChem (CID 175038325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).