CID 172558720

C6H14O3SSi — CID 172558720

IUPAC—
SMILESCOC(OC)O[Si]CCCS
InChIInChI=1S/C6H14O3SSi/c1-7-6(8-2)9-11-5-3-4-10/h6,10H,3-5H2,1-2H3
InChIKeyYATPFPSMEUETBG-UHFFFAOYSA-N
MW194.33 g/mol
LogP0.94
Rot. Bonds7

About CID 172558720

CID 172558720 (PubChem CID 172558720) has the molecular formula C6H14O3SSi and a molecular weight of 194.33 g/mol.

Molecular Properties

Compound NameCID 172558720
PubChem CID172558720
Molecular FormulaC6H14O3SSi
Molecular Weight194.33 g/mol
Exact Mass194.04
IUPAC Name—
SMILESCOC(OC)O[Si]CCCS
InChIInChI=1S/C6H14O3SSi/c1-7-6(8-2)9-11-5-3-4-10/h6,10H,3-5H2,1-2H3
InChIKeyYATPFPSMEUETBG-UHFFFAOYSA-N
XLogP0.94
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 CID 172558720 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 87098693
CID 87098693
mercaptopropyldiethoxymethylsilane
CID 53425327
CID 173368229
CID 173368229
CID 54031697
CID 54031697
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
CID 154430039
CID 90172645
CID 90172645
CID 90170885
CID 90170885
CID 19011196
CID 19011196
5,5,5-trimethoxy-4-silyloxypentane-1-thiol
CID 173313502

Frequently Asked Questions

What is the IUPAC name of CID 172558720?
The IUPAC name of CID 172558720 (CID 172558720) is not available.
What is the SMILES notation for CID 172558720?
The canonical SMILES for CID 172558720 is COC(OC)O[Si]CCCS.
What is the InChIKey of CID 172558720?
The InChIKey is YATPFPSMEUETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3SSi/c1-7-6(8-2)9-11-5-3-4-10/h6,10H,3-5H2,1-2H3.
What are the key properties of CID 172558720?
CID 172558720 has a molecular weight of 194.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172558720 is sourced from PubChem (CID 172558720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).