tri(propan-2-yl)-sulfanylsilane

C9H22SSi — CID 3435097

IUPACtri(propan-2-yl)-sulfanylsilane
SMILESCC(C)[Si](S)(C(C)C)C(C)C
InChIInChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3
InChIKeyCPKHFNMJTBLKLK-UHFFFAOYSA-N
MW190.43 g/mol
LogP4.09
Rot. Bonds3

About tri(propan-2-yl)-sulfanylsilane

tri(propan-2-yl)-sulfanylsilane (PubChem CID 3435097) has the molecular formula C9H22SSi and a molecular weight of 190.43 g/mol. Its IUPAC name is tri(propan-2-yl)-sulfanylsilane.

Molecular Properties

Compound Nametri(propan-2-yl)-sulfanylsilane
PubChem CID3435097
Molecular FormulaC9H22SSi
Molecular Weight190.43 g/mol
Exact Mass190.12
IUPAC Nametri(propan-2-yl)-sulfanylsilane
SMILESCC(C)[Si](S)(C(C)C)C(C)C
InChIInChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3
InChIKeyCPKHFNMJTBLKLK-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 tri(propan-2-yl)-sulfanylsilane?
The IUPAC name of tri(propan-2-yl)-sulfanylsilane (CID 3435097) is tri(propan-2-yl)-sulfanylsilane.
What is the SMILES notation for tri(propan-2-yl)-sulfanylsilane?
The canonical SMILES for tri(propan-2-yl)-sulfanylsilane is CC(C)[Si](S)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-sulfanylsilane?
The InChIKey is CPKHFNMJTBLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3.
What are the key properties of tri(propan-2-yl)-sulfanylsilane?
tri(propan-2-yl)-sulfanylsilane has a molecular weight of 190.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-sulfanylsilane is sourced from PubChem (CID 3435097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).