1-tri(propan-2-yloxy)silylpropane-1-thiol

C12H28O3SSi — CID 87195063

IUPAC1-tri(propan-2-yloxy)silylpropane-1-thiol
SMILESCCC(S)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C12H28O3SSi/c1-8-12(16)17(13-9(2)3,14-10(4)5)15-11(6)7/h9-12,16H,8H2,1-7H3
InChIKeyFFYVZSAJPUAMFP-UHFFFAOYSA-N
MW280.51 g/mol
LogP3.45
Rot. Bonds8

About 1-tri(propan-2-yloxy)silylpropane-1-thiol

1-tri(propan-2-yloxy)silylpropane-1-thiol (PubChem CID 87195063) has the molecular formula C12H28O3SSi and a molecular weight of 280.51 g/mol. Its IUPAC name is 1-tri(propan-2-yloxy)silylpropane-1-thiol.

Molecular Properties

Compound Name1-tri(propan-2-yloxy)silylpropane-1-thiol
PubChem CID87195063
Molecular FormulaC12H28O3SSi
Molecular Weight280.51 g/mol
Exact Mass280.15
IUPAC Name1-tri(propan-2-yloxy)silylpropane-1-thiol
SMILESCCC(S)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C12H28O3SSi/c1-8-12(16)17(13-9(2)3,14-10(4)5)15-11(6)7/h9-12,16H,8H2,1-7H3
InChIKeyFFYVZSAJPUAMFP-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-tri(propan-2-yloxy)silylpropane-1-thiol?
The IUPAC name of 1-tri(propan-2-yloxy)silylpropane-1-thiol (CID 87195063) is 1-tri(propan-2-yloxy)silylpropane-1-thiol.
What is the SMILES notation for 1-tri(propan-2-yloxy)silylpropane-1-thiol?
The canonical SMILES for 1-tri(propan-2-yloxy)silylpropane-1-thiol is CCC(S)[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 1-tri(propan-2-yloxy)silylpropane-1-thiol?
The InChIKey is FFYVZSAJPUAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3SSi/c1-8-12(16)17(13-9(2)3,14-10(4)5)15-11(6)7/h9-12,16H,8H2,1-7H3.
What are the key properties of 1-tri(propan-2-yloxy)silylpropane-1-thiol?
1-tri(propan-2-yloxy)silylpropane-1-thiol has a molecular weight of 280.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yloxy)silylpropane-1-thiol is sourced from PubChem (CID 87195063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).