trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane

C12H16SSi — CID 10900155

IUPACtrimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane
SMILESC=C=C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H16SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10H,1H2,2-4H3
InChIKeyCLNKVICNDRBMRE-UHFFFAOYSA-N
MW220.41 g/mol
LogP4.32
Rot. Bonds3

About trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane

trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane (PubChem CID 10900155) has the molecular formula C12H16SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane
PubChem CID10900155
Molecular FormulaC12H16SSi
Molecular Weight220.41 g/mol
Exact Mass220.07
IUPAC Nametrimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane
SMILESC=C=C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H16SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10H,1H2,2-4H3
InChIKeyCLNKVICNDRBMRE-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane
CID 71323231
penta-1,3-dien-3-ylsulfanylbenzene
CID 74034307
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
CID 11822267
2-[methylsulfanyl(phenylsulfanyl)methylidene]propanedinitrile
CID 10977339
1,3,3-triiodopropa-1,2-dienylsulfanylbenzene
CID 86183087
1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
2-methyl-3-phenylsulfanylbut-3-en-2-ol
CID 12923800
1-phenylethenylsulfanylbenzene
CID 3594215
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1,1-difluoroprop-1-en-2-ylsulfanylbenzene
CID 11194757
phenyl N,N-dimethylcarbamodithioate
CID 11063386

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane (CID 10900155) is trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane is C=C=C(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane?
The InChIKey is CLNKVICNDRBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10H,1H2,2-4H3.
What are the key properties of trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane?
trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane has a molecular weight of 220.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane is sourced from PubChem (CID 10900155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).