3-tris(trimethylsilyloxy)silylpropane-1-thiol

C12H34O3SSi4 — CID 18003138

IUPAC3-tris(trimethylsilyloxy)silylpropane-1-thiol
SMILESC[Si](C)(C)O[Si](CCCS)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H34O3SSi4/c1-17(2,3)13-20(12-10-11-16,14-18(4,5)6)15-19(7,8)9/h16H,10-12H2,1-9H3
InChIKeyWMTHOCDKBFTQDR-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.80
Rot. Bonds9

About 3-tris(trimethylsilyloxy)silylpropane-1-thiol

3-tris(trimethylsilyloxy)silylpropane-1-thiol (PubChem CID 18003138) has the molecular formula C12H34O3SSi4 and a molecular weight of 370.81 g/mol. Its IUPAC name is 3-tris(trimethylsilyloxy)silylpropane-1-thiol.

Molecular Properties

Compound Name3-tris(trimethylsilyloxy)silylpropane-1-thiol
PubChem CID18003138
Molecular FormulaC12H34O3SSi4
Molecular Weight370.81 g/mol
Exact Mass370.13
IUPAC Name3-tris(trimethylsilyloxy)silylpropane-1-thiol
SMILESC[Si](C)(C)O[Si](CCCS)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H34O3SSi4/c1-17(2,3)13-20(12-10-11-16,14-18(4,5)6)15-19(7,8)9/h16H,10-12H2,1-9H3
InChIKeyWMTHOCDKBFTQDR-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.80
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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Related Compounds

butyl-tris(trimethylsilyloxy)silane
CID 19881442
trimethyl-[3-silylpropyl-bis(trimethylsilyloxy)silyl]oxysilane
CID 123962138
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
3-tris[[dimethyl-[2-tris(dimethylsilyloxy)silylethyl]silyl]oxy]silylpropane-1-thiol
CID 123325575
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol
CID 158951251
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
2,3-bis[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 54305783
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258
3-cyclopenta-2,4-dien-1-ylpropyl-tris(trimethylsilyloxy)silane
CID 139795542

Frequently Asked Questions

What is the IUPAC name of 3-tris(trimethylsilyloxy)silylpropane-1-thiol?
The IUPAC name of 3-tris(trimethylsilyloxy)silylpropane-1-thiol (CID 18003138) is 3-tris(trimethylsilyloxy)silylpropane-1-thiol.
What is the SMILES notation for 3-tris(trimethylsilyloxy)silylpropane-1-thiol?
The canonical SMILES for 3-tris(trimethylsilyloxy)silylpropane-1-thiol is C[Si](C)(C)O[Si](CCCS)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-tris(trimethylsilyloxy)silylpropane-1-thiol?
The InChIKey is WMTHOCDKBFTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H34O3SSi4/c1-17(2,3)13-20(12-10-11-16,14-18(4,5)6)15-19(7,8)9/h16H,10-12H2,1-9H3.
What are the key properties of 3-tris(trimethylsilyloxy)silylpropane-1-thiol?
3-tris(trimethylsilyloxy)silylpropane-1-thiol has a molecular weight of 370.81 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tris(trimethylsilyloxy)silylpropane-1-thiol is sourced from PubChem (CID 18003138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).