(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane

C8H12Cl2SSi — CID 54399569

IUPAC(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane
SMILESCc1sc([Si](C)(C)C)c(Cl)c1Cl
InChIInChI=1S/C8H12Cl2SSi/c1-5-6(9)7(10)8(11-5)12(2,3)4/h1-4H3
InChIKeyVMLCGJPNSKNSJK-UHFFFAOYSA-N
MW239.24 g/mol
LogP3.91
Rot. Bonds1

About (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane

(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane (PubChem CID 54399569) has the molecular formula C8H12Cl2SSi and a molecular weight of 239.24 g/mol. Its IUPAC name is (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane
PubChem CID54399569
Molecular FormulaC8H12Cl2SSi
Molecular Weight239.24 g/mol
Exact Mass237.98
IUPAC Name(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane
SMILESCc1sc([Si](C)(C)C)c(Cl)c1Cl
InChIInChI=1S/C8H12Cl2SSi/c1-5-6(9)7(10)8(11-5)12(2,3)4/h1-4H3
InChIKeyVMLCGJPNSKNSJK-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 53.91
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 (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane?
The IUPAC name of (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane (CID 54399569) is (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane.
What is the SMILES notation for (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane?
The canonical SMILES for (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane is Cc1sc([Si](C)(C)C)c(Cl)c1Cl.
What is the InChIKey of (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane?
The InChIKey is VMLCGJPNSKNSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2SSi/c1-5-6(9)7(10)8(11-5)12(2,3)4/h1-4H3.
What are the key properties of (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane?
(3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane has a molecular weight of 239.24 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-5-methylthiophen-2-yl)-trimethylsilane is sourced from PubChem (CID 54399569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).