[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane

C14H17ClSSi — CID 59707566

IUPAC[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane
SMILESCc1cccc(-c2cc([Si](C)(C)C)sc2Cl)c1
InChIInChI=1S/C14H17ClSSi/c1-10-6-5-7-11(8-10)12-9-13(16-14(12)15)17(2,3)4/h5-9H,1-4H3
InChIKeyWQQIZGQBVMJJPP-UHFFFAOYSA-N
MW280.90 g/mol
LogP4.92
Rot. Bonds2

About [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane

[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane (PubChem CID 59707566) has the molecular formula C14H17ClSSi and a molecular weight of 280.90 g/mol. Its IUPAC name is [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane
PubChem CID59707566
Molecular FormulaC14H17ClSSi
Molecular Weight280.90 g/mol
Exact Mass280.05
IUPAC Name[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane
SMILESCc1cccc(-c2cc([Si](C)(C)C)sc2Cl)c1
InChIInChI=1S/C14H17ClSSi/c1-10-6-5-7-11(8-10)12-9-13(16-14(12)15)17(2,3)4/h5-9H,1-4H3
InChIKeyWQQIZGQBVMJJPP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.90
LogP ≤ 54.92
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 [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane?
The IUPAC name of [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane (CID 59707566) is [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane?
The canonical SMILES for [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane is Cc1cccc(-c2cc([Si](C)(C)C)sc2Cl)c1.
What is the InChIKey of [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane?
The InChIKey is WQQIZGQBVMJJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClSSi/c1-10-6-5-7-11(8-10)12-9-13(16-14(12)15)17(2,3)4/h5-9H,1-4H3.
What are the key properties of [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane?
[5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane has a molecular weight of 280.90 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3-methylphenyl)thiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 59707566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).