silyl 2-hydroxy-2-methylsulfanylacetate

C3H8O3SSi — CID 174454152

IUPACsilyl 2-hydroxy-2-methylsulfanylacetate
SMILESCSC(O)C(=O)O[SiH3]
InChIInChI=1S/C3H8O3SSi/c1-7-3(5)2(4)6-8/h3,5H,1,8H3
InChIKeyDQXZFDJLZHODQQ-UHFFFAOYSA-N
MW152.25 g/mol
LogP-1.51
Rot. Bonds2

About silyl 2-hydroxy-2-methylsulfanylacetate

silyl 2-hydroxy-2-methylsulfanylacetate (PubChem CID 174454152) has the molecular formula C3H8O3SSi and a molecular weight of 152.25 g/mol. Its IUPAC name is silyl 2-hydroxy-2-methylsulfanylacetate.

Molecular Properties

Compound Namesilyl 2-hydroxy-2-methylsulfanylacetate
PubChem CID174454152
Molecular FormulaC3H8O3SSi
Molecular Weight152.25 g/mol
Exact Mass152.00
IUPAC Namesilyl 2-hydroxy-2-methylsulfanylacetate
SMILESCSC(O)C(=O)O[SiH3]
InChIInChI=1S/C3H8O3SSi/c1-7-3(5)2(4)6-8/h3,5H,1,8H3
InChIKeyDQXZFDJLZHODQQ-UHFFFAOYSA-N
XLogP-1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silyl 2-hydroxy-2-methylsulfanylacetate?
The IUPAC name of silyl 2-hydroxy-2-methylsulfanylacetate (CID 174454152) is silyl 2-hydroxy-2-methylsulfanylacetate.
What is the SMILES notation for silyl 2-hydroxy-2-methylsulfanylacetate?
The canonical SMILES for silyl 2-hydroxy-2-methylsulfanylacetate is CSC(O)C(=O)O[SiH3].
What is the InChIKey of silyl 2-hydroxy-2-methylsulfanylacetate?
The InChIKey is DQXZFDJLZHODQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3SSi/c1-7-3(5)2(4)6-8/h3,5H,1,8H3.
What are the key properties of silyl 2-hydroxy-2-methylsulfanylacetate?
silyl 2-hydroxy-2-methylsulfanylacetate has a molecular weight of 152.25 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-hydroxy-2-methylsulfanylacetate is sourced from PubChem (CID 174454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).