1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol

C8H18O2SSi — CID 88627461

IUPAC1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol
SMILESC=CC[Si](OC)(OC)C(S)CC
InChIInChI=1S/C8H18O2SSi/c1-5-7-12(9-3,10-4)8(11)6-2/h5,8,11H,1,6-7H2,2-4H3
InChIKeyIITJGUJMKSCBJS-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.15
Rot. Bonds6

About 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol

1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol (PubChem CID 88627461) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol. Its IUPAC name is 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol
PubChem CID88627461
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol
SMILESC=CC[Si](OC)(OC)C(S)CC
InChIInChI=1S/C8H18O2SSi/c1-5-7-12(9-3,10-4)8(11)6-2/h5,8,11H,1,6-7H2,2-4H3
InChIKeyIITJGUJMKSCBJS-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol 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

1-[dimethoxy(methyl)silyl]propane-1-thiol
CID 21264804
methoxy-tris(prop-2-enyl)silane
CID 22222919
ethanol;trimethoxy(prop-2-enyl)silane
CID 87390018
hydroxy-dimethoxy-prop-2-enylsilane
CID 90254495
ethenyl-[1-[ethenyl(dimethoxy)silyl]propyl]-dimethoxysilane
CID 87177557
1-[1-[ethyl(dimethoxy)silyl]prop-2-enyl]-1-prop-2-enylhydrazine
CID 87991265
1-ethenylsulfanylpropyl(trimethoxy)silane
CID 21425881
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
chloro-dimethoxy-prop-2-enoxysilane
CID 151750059
trimethoxy-tris(prop-2-enyl)silylazanium bromide
CID 175251728
1-tri(propan-2-yloxy)silylpropane-1-thiol
CID 87195063
ethyl-(ethyl-methyl-prop-2-enylsilyl)oxy-methyl-prop-2-enylsilane
CID 139725530

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol?
The IUPAC name of 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol (CID 88627461) is 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol.
What is the SMILES notation for 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol?
The canonical SMILES for 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol is C=CC[Si](OC)(OC)C(S)CC.
What is the InChIKey of 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol?
The InChIKey is IITJGUJMKSCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-5-7-12(9-3,10-4)8(11)6-2/h5,8,11H,1,6-7H2,2-4H3.
What are the key properties of 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol?
1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol has a molecular weight of 206.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(prop-2-enyl)silyl]propane-1-thiol is sourced from PubChem (CID 88627461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).