1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol

C4H12O3S2Si — CID 140965591

IUPAC1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol
SMILESCCO[Si](O)(O)C(S)CS
InChIInChI=1S/C4H12O3S2Si/c1-2-7-10(5,6)4(9)3-8/h4-6,8-9H,2-3H2,1H3
InChIKeyQOBFQTXVKTZNKX-UHFFFAOYSA-N
MW200.36 g/mol
LogP-0.29
Rot. Bonds4

About 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol

1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol (PubChem CID 140965591) has the molecular formula C4H12O3S2Si and a molecular weight of 200.36 g/mol. Its IUPAC name is 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol.

Molecular Properties

Compound Name1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol
PubChem CID140965591
Molecular FormulaC4H12O3S2Si
Molecular Weight200.36 g/mol
Exact Mass200.00
IUPAC Name1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol
SMILESCCO[Si](O)(O)C(S)CS
InChIInChI=1S/C4H12O3S2Si/c1-2-7-10(5,6)4(9)3-8/h4-6,8-9H,2-3H2,1H3
InChIKeyQOBFQTXVKTZNKX-UHFFFAOYSA-N
XLogP-0.29
TPSA49.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol 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

[diethoxy(hydroxy)silyl]methanethiol
CID 23112940
ethoxy(trihydroxy)silane;phosphane
CID 174965981
1-[ethoxy(dimethyl)silyl]ethanethiol
CID 163407239
magnesium;ethoxy(trihydroxy)silane;hydride
CID 174951235
ethoxy-[2-[ethoxy(dihydroxy)silyl]ethyl]-dihydroxysilane
CID 87194100
ethylmercury;silicic acid
CID 174832144
cyclopropyl-diethoxy-hydroxysilane
CID 57250648
[ethoxy(dihydroxy)silyl] hypofluorite
CID 175477348
ethoxy(trioxido)silane
CID 53442617
ethoxy-hydroxy-methyl-propan-2-yloxysilane
CID 174545360
3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
1-[diethoxy(ethyl)silyl]ethyl-diethoxy-ethylsilane
CID 87295758

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol?
The IUPAC name of 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol (CID 140965591) is 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol.
What is the SMILES notation for 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol?
The canonical SMILES for 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol is CCO[Si](O)(O)C(S)CS.
What is the InChIKey of 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol?
The InChIKey is QOBFQTXVKTZNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3S2Si/c1-2-7-10(5,6)4(9)3-8/h4-6,8-9H,2-3H2,1H3.
What are the key properties of 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol?
1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol has a molecular weight of 200.36 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol is sourced from PubChem (CID 140965591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).