3-methyl-3-silyloxybutane-1-thiol

C5H14OSSi — CID 173002344

IUPAC3-methyl-3-silyloxybutane-1-thiol
SMILESCC(C)(CCS)O[SiH3]
InChIInChI=1S/C5H14OSSi/c1-5(2,6-8)3-4-7/h7H,3-4H2,1-2,8H3
InChIKeyAYSGKXVYWGZGTB-UHFFFAOYSA-N
MW150.32 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-3-silyloxybutane-1-thiol

3-methyl-3-silyloxybutane-1-thiol (PubChem CID 173002344) has the molecular formula C5H14OSSi and a molecular weight of 150.32 g/mol. Its IUPAC name is 3-methyl-3-silyloxybutane-1-thiol.

Molecular Properties

Compound Name3-methyl-3-silyloxybutane-1-thiol
PubChem CID173002344
Molecular FormulaC5H14OSSi
Molecular Weight150.32 g/mol
Exact Mass150.05
IUPAC Name3-methyl-3-silyloxybutane-1-thiol
SMILESCC(C)(CCS)O[SiH3]
InChIInChI=1S/C5H14OSSi/c1-5(2,6-8)3-4-7/h7H,3-4H2,1-2,8H3
InChIKeyAYSGKXVYWGZGTB-UHFFFAOYSA-N
XLogP0.38
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-silyloxybutane-1-thiol?
The IUPAC name of 3-methyl-3-silyloxybutane-1-thiol (CID 173002344) is 3-methyl-3-silyloxybutane-1-thiol.
What is the SMILES notation for 3-methyl-3-silyloxybutane-1-thiol?
The canonical SMILES for 3-methyl-3-silyloxybutane-1-thiol is CC(C)(CCS)O[SiH3].
What is the InChIKey of 3-methyl-3-silyloxybutane-1-thiol?
The InChIKey is AYSGKXVYWGZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSSi/c1-5(2,6-8)3-4-7/h7H,3-4H2,1-2,8H3.
What are the key properties of 3-methyl-3-silyloxybutane-1-thiol?
3-methyl-3-silyloxybutane-1-thiol has a molecular weight of 150.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-silyloxybutane-1-thiol is sourced from PubChem (CID 173002344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).