1-(1,1-dimethoxyethoxysilyl)propane-1-thiol

C7H18O3SSi — CID 173458875

IUPAC1-(1,1-dimethoxyethoxysilyl)propane-1-thiol
SMILESCCC(S)[SiH2]OC(C)(OC)OC
InChIInChI=1S/C7H18O3SSi/c1-5-6(11)12-10-7(2,8-3)9-4/h6,11H,5,12H2,1-4H3
InChIKeyHATFAMPPFTUWIX-UHFFFAOYSA-N
MW210.37 g/mol
LogP0.72
Rot. Bonds6

About 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol

1-(1,1-dimethoxyethoxysilyl)propane-1-thiol (PubChem CID 173458875) has the molecular formula C7H18O3SSi and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol.

Molecular Properties

Compound Name1-(1,1-dimethoxyethoxysilyl)propane-1-thiol
PubChem CID173458875
Molecular FormulaC7H18O3SSi
Molecular Weight210.37 g/mol
Exact Mass210.07
IUPAC Name1-(1,1-dimethoxyethoxysilyl)propane-1-thiol
SMILESCCC(S)[SiH2]OC(C)(OC)OC
InChIInChI=1S/C7H18O3SSi/c1-5-6(11)12-10-7(2,8-3)9-4/h6,11H,5,12H2,1-4H3
InChIKeyHATFAMPPFTUWIX-UHFFFAOYSA-N
XLogP0.72
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(1,1-dimethoxyethoxysilyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol?
The IUPAC name of 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol (CID 173458875) is 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol.
What is the SMILES notation for 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol?
The canonical SMILES for 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol is CCC(S)[SiH2]OC(C)(OC)OC.
What is the InChIKey of 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol?
The InChIKey is HATFAMPPFTUWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3SSi/c1-5-6(11)12-10-7(2,8-3)9-4/h6,11H,5,12H2,1-4H3.
What are the key properties of 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol?
1-(1,1-dimethoxyethoxysilyl)propane-1-thiol has a molecular weight of 210.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethoxysilyl)propane-1-thiol is sourced from PubChem (CID 173458875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).