trimethyl-(1-phenylsulfanylcyclopropyl)silane

C12H18SSi — CID 552870

IUPACtrimethyl-(1-phenylsulfanylcyclopropyl)silane
SMILESC[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C12H18SSi/c1-14(2,3)12(9-10-12)13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyDEIZBLNWJYTTLE-UHFFFAOYSA-N
MW222.43 g/mol
LogP4.19
Rot. Bonds3

About trimethyl-(1-phenylsulfanylcyclopropyl)silane

trimethyl-(1-phenylsulfanylcyclopropyl)silane (PubChem CID 552870) has the molecular formula C12H18SSi and a molecular weight of 222.43 g/mol. Its IUPAC name is trimethyl-(1-phenylsulfanylcyclopropyl)silane.

Molecular Properties

Compound Nametrimethyl-(1-phenylsulfanylcyclopropyl)silane
PubChem CID552870
Molecular FormulaC12H18SSi
Molecular Weight222.43 g/mol
Exact Mass222.09
IUPAC Nametrimethyl-(1-phenylsulfanylcyclopropyl)silane
SMILESC[Si](C)(C)C1(Sc2ccccc2)CC1
InChIInChI=1S/C12H18SSi/c1-14(2,3)12(9-10-12)13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyDEIZBLNWJYTTLE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-phenylsulfanylcyclopropyl)silane?
The IUPAC name of trimethyl-(1-phenylsulfanylcyclopropyl)silane (CID 552870) is trimethyl-(1-phenylsulfanylcyclopropyl)silane.
What is the SMILES notation for trimethyl-(1-phenylsulfanylcyclopropyl)silane?
The canonical SMILES for trimethyl-(1-phenylsulfanylcyclopropyl)silane is C[Si](C)(C)C1(Sc2ccccc2)CC1.
What is the InChIKey of trimethyl-(1-phenylsulfanylcyclopropyl)silane?
The InChIKey is DEIZBLNWJYTTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18SSi/c1-14(2,3)12(9-10-12)13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of trimethyl-(1-phenylsulfanylcyclopropyl)silane?
trimethyl-(1-phenylsulfanylcyclopropyl)silane has a molecular weight of 222.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-phenylsulfanylcyclopropyl)silane is sourced from PubChem (CID 552870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).