3-dimethylsilylpropane-1-thiol

C5H14SSi — CID 122213464

IUPAC3-dimethylsilylpropane-1-thiol
SMILESC[SiH](C)CCCS
InChIInChI=1S/C5H14SSi/c1-7(2)5-3-4-6/h6-7H,3-5H2,1-2H3
InChIKeyGOGZDNJNMJNZJE-UHFFFAOYSA-N
MW134.32 g/mol
LogP1.79
Rot. Bonds3

About 3-dimethylsilylpropane-1-thiol

3-dimethylsilylpropane-1-thiol (PubChem CID 122213464) has the molecular formula C5H14SSi and a molecular weight of 134.32 g/mol. Its IUPAC name is 3-dimethylsilylpropane-1-thiol.

Molecular Properties

Compound Name3-dimethylsilylpropane-1-thiol
PubChem CID122213464
Molecular FormulaC5H14SSi
Molecular Weight134.32 g/mol
Exact Mass134.06
IUPAC Name3-dimethylsilylpropane-1-thiol
SMILESC[SiH](C)CCCS
InChIInChI=1S/C5H14SSi/c1-7(2)5-3-4-6/h6-7H,3-5H2,1-2H3
InChIKeyGOGZDNJNMJNZJE-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dimethylsilylpropane-1-thiol?
The IUPAC name of 3-dimethylsilylpropane-1-thiol (CID 122213464) is 3-dimethylsilylpropane-1-thiol.
What is the SMILES notation for 3-dimethylsilylpropane-1-thiol?
The canonical SMILES for 3-dimethylsilylpropane-1-thiol is C[SiH](C)CCCS.
What is the InChIKey of 3-dimethylsilylpropane-1-thiol?
The InChIKey is GOGZDNJNMJNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14SSi/c1-7(2)5-3-4-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-dimethylsilylpropane-1-thiol?
3-dimethylsilylpropane-1-thiol has a molecular weight of 134.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilylpropane-1-thiol is sourced from PubChem (CID 122213464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).