trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane

C16H18SSi — CID 102189387

IUPACtrimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane
SMILESCSc1cc2ccccc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C16H18SSi/c1-17-16-12-14-8-6-5-7-13(14)11-15(16)9-10-18(2,3)4/h5-8,11-12H,1-4H3
InChIKeySIJJKQBSANZHAI-UHFFFAOYSA-N
MW270.47 g/mol
LogP4.79
Rot. Bonds1

About trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane

trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane (PubChem CID 102189387) has the molecular formula C16H18SSi and a molecular weight of 270.47 g/mol. Its IUPAC name is trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane
PubChem CID102189387
Molecular FormulaC16H18SSi
Molecular Weight270.47 g/mol
Exact Mass270.09
IUPAC Nametrimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane
SMILESCSc1cc2ccccc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C16H18SSi/c1-17-16-12-14-8-6-5-7-13(14)11-15(16)9-10-18(2,3)4/h5-8,11-12H,1-4H3
InChIKeySIJJKQBSANZHAI-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 54.79
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

Naphthalene, 1-methyl-4-(methylthio)-
CID 59596773
9-Butylthiophenantrene
CID 10539724
9-(Methylthio)phenanthrene
CID 10987905
9-(Ethylthio)phenanthrene
CID 12755670
Methyl(2-methylnaphthalen-1-yl)sulfane
CID 15653767
Thia-anthracene
CID 22983285
9-(Dodecylthio)phenanthrene
CID 58825799
(E)-1,2-Bis(3-(methylthio)naphthalen-2-yl)ethene
CID 68691173
2-[3,7-Bis(methylsulfanyl)-6-(2-trimethylsilylethynyl)anthracen-2-yl]ethynyl-trimethylsilane
CID 71486365
3-Butylsulfanyl-1-fluoro-7-propylnaphthalene
CID 58719083
6-(2-Fluorophenyl)-1-methyl-7-methylsulfanylnaphthalene
CID 130214196
1-Ethynyl-2-fluoro-8-methylsulfanylnaphthalene
CID 167468846

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane (CID 102189387) is trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane is CSc1cc2ccccc2cc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane?
The InChIKey is SIJJKQBSANZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18SSi/c1-17-16-12-14-8-6-5-7-13(14)11-15(16)9-10-18(2,3)4/h5-8,11-12H,1-4H3.
What are the key properties of trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane?
trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane has a molecular weight of 270.47 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methylsulfanylnaphthalen-2-yl)ethynyl]silane is sourced from PubChem (CID 102189387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).