3-(disilanyl)propane-1-thiol

C3H12SSi2 — CID 123642234

IUPAC3-(disilanyl)propane-1-thiol
SMILES[SiH3][SiH2]CCCS
InChIInChI=1S/C3H12SSi2/c4-2-1-3-6-5/h4H,1-3,6H2,5H3
InChIKeyCXSOWQLIEZUSKB-UHFFFAOYSA-N
MW136.37 g/mol
LogP-0.83
Rot. Bonds3

About 3-(disilanyl)propane-1-thiol

3-(disilanyl)propane-1-thiol (PubChem CID 123642234) has the molecular formula C3H12SSi2 and a molecular weight of 136.37 g/mol. Its IUPAC name is 3-(disilanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(disilanyl)propane-1-thiol
PubChem CID123642234
Molecular FormulaC3H12SSi2
Molecular Weight136.37 g/mol
Exact Mass136.02
IUPAC Name3-(disilanyl)propane-1-thiol
SMILES[SiH3][SiH2]CCCS
InChIInChI=1S/C3H12SSi2/c4-2-1-3-6-5/h4H,1-3,6H2,5H3
InChIKeyCXSOWQLIEZUSKB-UHFFFAOYSA-N
XLogP-0.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.37
LogP ≤ 5-0.83
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-(disilanyl)propane-1-thiol?
The IUPAC name of 3-(disilanyl)propane-1-thiol (CID 123642234) is 3-(disilanyl)propane-1-thiol.
What is the SMILES notation for 3-(disilanyl)propane-1-thiol?
The canonical SMILES for 3-(disilanyl)propane-1-thiol is [SiH3][SiH2]CCCS.
What is the InChIKey of 3-(disilanyl)propane-1-thiol?
The InChIKey is CXSOWQLIEZUSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12SSi2/c4-2-1-3-6-5/h4H,1-3,6H2,5H3.
What are the key properties of 3-(disilanyl)propane-1-thiol?
3-(disilanyl)propane-1-thiol has a molecular weight of 136.37 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disilanyl)propane-1-thiol is sourced from PubChem (CID 123642234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).