3-[methyl(dipropyl)silyl]propane-1,1-dithiol

C10H24S2Si — CID 175506768

IUPAC3-[methyl(dipropyl)silyl]propane-1,1-dithiol
SMILESCCC[Si](C)(CCC)CCC(S)S
InChIInChI=1S/C10H24S2Si/c1-4-7-13(3,8-5-2)9-6-10(11)12/h10-12H,4-9H2,1-3H3
InChIKeyLTPPQTBKYZCSQL-UHFFFAOYSA-N
MW236.52 g/mol
LogP4.46
Rot. Bonds7

About 3-[methyl(dipropyl)silyl]propane-1,1-dithiol

3-[methyl(dipropyl)silyl]propane-1,1-dithiol (PubChem CID 175506768) has the molecular formula C10H24S2Si and a molecular weight of 236.52 g/mol. Its IUPAC name is 3-[methyl(dipropyl)silyl]propane-1,1-dithiol.

Molecular Properties

Compound Name3-[methyl(dipropyl)silyl]propane-1,1-dithiol
PubChem CID175506768
Molecular FormulaC10H24S2Si
Molecular Weight236.52 g/mol
Exact Mass236.11
IUPAC Name3-[methyl(dipropyl)silyl]propane-1,1-dithiol
SMILESCCC[Si](C)(CCC)CCC(S)S
InChIInChI=1S/C10H24S2Si/c1-4-7-13(3,8-5-2)9-6-10(11)12/h10-12H,4-9H2,1-3H3
InChIKeyLTPPQTBKYZCSQL-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(dipropyl)silyl]propane-1,1-dithiol?
The IUPAC name of 3-[methyl(dipropyl)silyl]propane-1,1-dithiol (CID 175506768) is 3-[methyl(dipropyl)silyl]propane-1,1-dithiol.
What is the SMILES notation for 3-[methyl(dipropyl)silyl]propane-1,1-dithiol?
The canonical SMILES for 3-[methyl(dipropyl)silyl]propane-1,1-dithiol is CCC[Si](C)(CCC)CCC(S)S.
What is the InChIKey of 3-[methyl(dipropyl)silyl]propane-1,1-dithiol?
The InChIKey is LTPPQTBKYZCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24S2Si/c1-4-7-13(3,8-5-2)9-6-10(11)12/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-[methyl(dipropyl)silyl]propane-1,1-dithiol?
3-[methyl(dipropyl)silyl]propane-1,1-dithiol has a molecular weight of 236.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(dipropyl)silyl]propane-1,1-dithiol is sourced from PubChem (CID 175506768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).