3-trimethylsilyloxypropane-1-thiol

C6H16OSSi — CID 12730693

IUPAC3-trimethylsilyloxypropane-1-thiol
SMILESC[Si](C)(C)OCCCS
InChIInChI=1S/C6H16OSSi/c1-9(2,3)7-5-4-6-8/h8H,4-6H2,1-3H3
InChIKeyPILOJNXLUBJEDL-UHFFFAOYSA-N
MW164.35 g/mol
LogP2.16
Rot. Bonds4

About 3-trimethylsilyloxypropane-1-thiol

3-trimethylsilyloxypropane-1-thiol (PubChem CID 12730693) has the molecular formula C6H16OSSi and a molecular weight of 164.35 g/mol. Its IUPAC name is 3-trimethylsilyloxypropane-1-thiol.

Molecular Properties

Compound Name3-trimethylsilyloxypropane-1-thiol
PubChem CID12730693
Molecular FormulaC6H16OSSi
Molecular Weight164.35 g/mol
Exact Mass164.07
IUPAC Name3-trimethylsilyloxypropane-1-thiol
SMILESC[Si](C)(C)OCCCS
InChIInChI=1S/C6H16OSSi/c1-9(2,3)7-5-4-6-8/h8H,4-6H2,1-3H3
InChIKeyPILOJNXLUBJEDL-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-trimethylsilyloxypropane-1-thiol?
The IUPAC name of 3-trimethylsilyloxypropane-1-thiol (CID 12730693) is 3-trimethylsilyloxypropane-1-thiol.
What is the SMILES notation for 3-trimethylsilyloxypropane-1-thiol?
The canonical SMILES for 3-trimethylsilyloxypropane-1-thiol is C[Si](C)(C)OCCCS.
What is the InChIKey of 3-trimethylsilyloxypropane-1-thiol?
The InChIKey is PILOJNXLUBJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSSi/c1-9(2,3)7-5-4-6-8/h8H,4-6H2,1-3H3.
What are the key properties of 3-trimethylsilyloxypropane-1-thiol?
3-trimethylsilyloxypropane-1-thiol has a molecular weight of 164.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxypropane-1-thiol is sourced from PubChem (CID 12730693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).