3-(disilanylsilyl)propane-1-thiol

C3H14SSi3 — CID 152767236

IUPAC3-(disilanylsilyl)propane-1-thiol
SMILES[SiH3][SiH2][SiH2]CCCS
InChIInChI=1S/C3H14SSi3/c4-2-1-3-6-7-5/h4H,1-3,6-7H2,5H3
InChIKeyXYNKWQVTBWWTSR-UHFFFAOYSA-N
MW166.47 g/mol
LogP-1.74
Rot. Bonds4

About 3-(disilanylsilyl)propane-1-thiol

3-(disilanylsilyl)propane-1-thiol (PubChem CID 152767236) has the molecular formula C3H14SSi3 and a molecular weight of 166.47 g/mol. Its IUPAC name is 3-(disilanylsilyl)propane-1-thiol.

Molecular Properties

Compound Name3-(disilanylsilyl)propane-1-thiol
PubChem CID152767236
Molecular FormulaC3H14SSi3
Molecular Weight166.47 g/mol
Exact Mass166.01
IUPAC Name3-(disilanylsilyl)propane-1-thiol
SMILES[SiH3][SiH2][SiH2]CCCS
InChIInChI=1S/C3H14SSi3/c4-2-1-3-6-7-5/h4H,1-3,6-7H2,5H3
InChIKeyXYNKWQVTBWWTSR-UHFFFAOYSA-N
XLogP-1.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.47
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(disilanylsilyl)propane-1-thiol?
The IUPAC name of 3-(disilanylsilyl)propane-1-thiol (CID 152767236) is 3-(disilanylsilyl)propane-1-thiol.
What is the SMILES notation for 3-(disilanylsilyl)propane-1-thiol?
The canonical SMILES for 3-(disilanylsilyl)propane-1-thiol is [SiH3][SiH2][SiH2]CCCS.
What is the InChIKey of 3-(disilanylsilyl)propane-1-thiol?
The InChIKey is XYNKWQVTBWWTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H14SSi3/c4-2-1-3-6-7-5/h4H,1-3,6-7H2,5H3.
What are the key properties of 3-(disilanylsilyl)propane-1-thiol?
3-(disilanylsilyl)propane-1-thiol has a molecular weight of 166.47 g/mol, XLogP of -1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disilanylsilyl)propane-1-thiol is sourced from PubChem (CID 152767236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).