silane;3-trimethoxysilylpropane-1-thiol

C6H20O3SSi2 — CID 157336747

IUPACsilane;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC.[SiH4]
InChIInChI=1S/C6H16O3SSi.H4Si/c1-7-11(8-2,9-3)6-4-5-10;/h10H,4-6H2,1-3H3;1H4
InChIKeyBFXRJTDKPLPXSK-UHFFFAOYSA-N
MW228.46 g/mol
LogP-0.27
Rot. Bonds6

About silane;3-trimethoxysilylpropane-1-thiol

silane;3-trimethoxysilylpropane-1-thiol (PubChem CID 157336747) has the molecular formula C6H20O3SSi2 and a molecular weight of 228.46 g/mol. Its IUPAC name is silane;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Namesilane;3-trimethoxysilylpropane-1-thiol
PubChem CID157336747
Molecular FormulaC6H20O3SSi2
Molecular Weight228.46 g/mol
Exact Mass228.07
IUPAC Namesilane;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC.[SiH4]
InChIInChI=1S/C6H16O3SSi.H4Si/c1-7-11(8-2,9-3)6-4-5-10;/h10H,4-6H2,1-3H3;1H4
InChIKeyBFXRJTDKPLPXSK-UHFFFAOYSA-N
XLogP-0.27
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.46
LogP ≤ 5-0.27
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

hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
CID 157162585
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol
CID 174907219
tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
CID 167567175

Frequently Asked Questions

What is the IUPAC name of silane;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of silane;3-trimethoxysilylpropane-1-thiol (CID 157336747) is silane;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for silane;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for silane;3-trimethoxysilylpropane-1-thiol is CO[Si](CCCS)(OC)OC.[SiH4].
What is the InChIKey of silane;3-trimethoxysilylpropane-1-thiol?
The InChIKey is BFXRJTDKPLPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.H4Si/c1-7-11(8-2,9-3)6-4-5-10;/h10H,4-6H2,1-3H3;1H4.
What are the key properties of silane;3-trimethoxysilylpropane-1-thiol?
silane;3-trimethoxysilylpropane-1-thiol has a molecular weight of 228.46 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silane;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 157336747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).