3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol

C7H18OS3Si — CID 173106341

IUPAC3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol
SMILESCC(S)C(O[SiH3])(C(C)S)C(C)S
InChIInChI=1S/C7H18OS3Si/c1-4(9)7(8-12,5(2)10)6(3)11/h4-6,9-11H,1-3,12H3
InChIKeyMMDPFBMLRRYEBQ-UHFFFAOYSA-N
MW242.51 g/mol
LogP0.98
Rot. Bonds4

About 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol

3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol (PubChem CID 173106341) has the molecular formula C7H18OS3Si and a molecular weight of 242.51 g/mol. Its IUPAC name is 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol.

Molecular Properties

Compound Name3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol
PubChem CID173106341
Molecular FormulaC7H18OS3Si
Molecular Weight242.51 g/mol
Exact Mass242.03
IUPAC Name3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol
SMILESCC(S)C(O[SiH3])(C(C)S)C(C)S
InChIInChI=1S/C7H18OS3Si/c1-4(9)7(8-12,5(2)10)6(3)11/h4-6,9-11H,1-3,12H3
InChIKeyMMDPFBMLRRYEBQ-UHFFFAOYSA-N
XLogP0.98
TPSA9.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.51
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol 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 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol?
The IUPAC name of 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol (CID 173106341) is 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol.
What is the SMILES notation for 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol?
The canonical SMILES for 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol is CC(S)C(O[SiH3])(C(C)S)C(C)S.
What is the InChIKey of 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol?
The InChIKey is MMDPFBMLRRYEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OS3Si/c1-4(9)7(8-12,5(2)10)6(3)11/h4-6,9-11H,1-3,12H3.
What are the key properties of 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol?
3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol has a molecular weight of 242.51 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silyloxy-3-(1-sulfanylethyl)pentane-2,4-dithiol is sourced from PubChem (CID 173106341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).