trimethyl(3-phenylsulfanylprop-1-ynyl)silane

C12H16SSi — CID 11694249

IUPACtrimethyl(3-phenylsulfanylprop-1-ynyl)silane
SMILESC[Si](C)(C)C#CCSc1ccccc1
InChIInChI=1S/C12H16SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKeyLCZWJIFSFODAAF-UHFFFAOYSA-N
MW220.41 g/mol
LogP3.66
Rot. Bonds2

About trimethyl(3-phenylsulfanylprop-1-ynyl)silane

trimethyl(3-phenylsulfanylprop-1-ynyl)silane (PubChem CID 11694249) has the molecular formula C12H16SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is trimethyl(3-phenylsulfanylprop-1-ynyl)silane.

Molecular Properties

Compound Nametrimethyl(3-phenylsulfanylprop-1-ynyl)silane
PubChem CID11694249
Molecular FormulaC12H16SSi
Molecular Weight220.41 g/mol
Exact Mass220.07
IUPAC Nametrimethyl(3-phenylsulfanylprop-1-ynyl)silane
SMILESC[Si](C)(C)C#CCSc1ccccc1
InChIInChI=1S/C12H16SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3
InChIKeyLCZWJIFSFODAAF-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
Prenylphenyl sulfide
CID 329234
Silane, trimethyl((phenylthio)methyl)-
CID 140295
Phenyl propargyl sulfide
CID 4131667
Dimethyl(phenyl)sulfonium
CID 425720
(E)-Phenyl-1-propenylsulfide
CID 5373102
((1-Methylethyl)thio)benzene
CID 76397
Isobutylthiobenzene
CID 83327

Frequently Asked Questions

What is the IUPAC name of trimethyl(3-phenylsulfanylprop-1-ynyl)silane?
The IUPAC name of trimethyl(3-phenylsulfanylprop-1-ynyl)silane (CID 11694249) is trimethyl(3-phenylsulfanylprop-1-ynyl)silane.
What is the SMILES notation for trimethyl(3-phenylsulfanylprop-1-ynyl)silane?
The canonical SMILES for trimethyl(3-phenylsulfanylprop-1-ynyl)silane is C[Si](C)(C)C#CCSc1ccccc1.
What is the InChIKey of trimethyl(3-phenylsulfanylprop-1-ynyl)silane?
The InChIKey is LCZWJIFSFODAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3.
What are the key properties of trimethyl(3-phenylsulfanylprop-1-ynyl)silane?
trimethyl(3-phenylsulfanylprop-1-ynyl)silane has a molecular weight of 220.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-phenylsulfanylprop-1-ynyl)silane is sourced from PubChem (CID 11694249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).