prop-1-ene-1-thiol;trimethoxysilane

C6H16O3SSi — CID 161071388

IUPACprop-1-ene-1-thiol;trimethoxysilane
SMILESCC=CS.CO[SiH](OC)OC
InChIInChI=1S/C3H10O3Si.C3H6S/c1-4-7(5-2)6-3;1-2-3-4/h7H,1-3H3;2-4H,1H3
InChIKeyUERZMVLKPKHGER-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.09
Rot. Bonds3

About prop-1-ene-1-thiol;trimethoxysilane

prop-1-ene-1-thiol;trimethoxysilane (PubChem CID 161071388) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is prop-1-ene-1-thiol;trimethoxysilane.

Molecular Properties

Compound Nameprop-1-ene-1-thiol;trimethoxysilane
PubChem CID161071388
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Nameprop-1-ene-1-thiol;trimethoxysilane
SMILESCC=CS.CO[SiH](OC)OC
InChIInChI=1S/C3H10O3Si.C3H6S/c1-4-7(5-2)6-3;1-2-3-4/h7H,1-3H3;2-4H,1H3
InChIKeyUERZMVLKPKHGER-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.09
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'}

Analyze prop-1-ene-1-thiol;trimethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160949183
CID 160949183
fluororuthenium;trimethoxysilane
CID 174912559
ethenol;trimethoxysilane
CID 175251073
but-1-ene;trimethoxysilane
CID 162022508
acetonitrile;trimethoxysilane
CID 158819953
ethanol;ruthenium;trimethoxysilane;hydrofluoride
CID 174962605
2-methylprop-2-enal;trimethoxysilane
CID 174980241
3-ethylazetidine;prop-1-en-1-amine;trimethoxysilane
CID 173363941
ethoxysilane;trimethoxysilane
CID 158529825
carbamic acid;trimethoxysilane
CID 131739360
propan-2-yloxysilane;trimethoxysilane
CID 174416098
propane-1-selenol;silver;trimethoxysilane
CID 173012716

Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1-thiol;trimethoxysilane?
The IUPAC name of prop-1-ene-1-thiol;trimethoxysilane (CID 161071388) is prop-1-ene-1-thiol;trimethoxysilane.
What is the SMILES notation for prop-1-ene-1-thiol;trimethoxysilane?
The canonical SMILES for prop-1-ene-1-thiol;trimethoxysilane is CC=CS.CO[SiH](OC)OC.
What is the InChIKey of prop-1-ene-1-thiol;trimethoxysilane?
The InChIKey is UERZMVLKPKHGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3Si.C3H6S/c1-4-7(5-2)6-3;1-2-3-4/h7H,1-3H3;2-4H,1H3.
What are the key properties of prop-1-ene-1-thiol;trimethoxysilane?
prop-1-ene-1-thiol;trimethoxysilane has a molecular weight of 196.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1-thiol;trimethoxysilane is sourced from PubChem (CID 161071388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).