(5-ethynylthiophen-2-yl)-trimethylstannane

C9H12SSn — CID 59644824

IUPAC(5-ethynylthiophen-2-yl)-trimethylstannane
SMILESC#Cc1ccc([Sn](C)(C)C)s1
InChIInChI=1S/C6H3S.3CH3.Sn/c1-2-6-4-3-5-7-6;;;;/h1,3-4H;3*1H3;
InChIKeyNCBZUZHQPKVGGE-UHFFFAOYSA-N
MW270.97 g/mol
LogP2.27
Rot. Bonds1

About (5-ethynylthiophen-2-yl)-trimethylstannane

(5-ethynylthiophen-2-yl)-trimethylstannane (PubChem CID 59644824) has the molecular formula C9H12SSn and a molecular weight of 270.97 g/mol. Its IUPAC name is (5-ethynylthiophen-2-yl)-trimethylstannane.

Molecular Properties

Compound Name(5-ethynylthiophen-2-yl)-trimethylstannane
PubChem CID59644824
Molecular FormulaC9H12SSn
Molecular Weight270.97 g/mol
Exact Mass271.97
IUPAC Name(5-ethynylthiophen-2-yl)-trimethylstannane
SMILESC#Cc1ccc([Sn](C)(C)C)s1
InChIInChI=1S/C6H3S.3CH3.Sn/c1-2-6-4-3-5-7-6;;;;/h1,3-4H;3*1H3;
InChIKeyNCBZUZHQPKVGGE-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.97
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethynylthiophen-2-yl)-trimethylstannane?
The IUPAC name of (5-ethynylthiophen-2-yl)-trimethylstannane (CID 59644824) is (5-ethynylthiophen-2-yl)-trimethylstannane.
What is the SMILES notation for (5-ethynylthiophen-2-yl)-trimethylstannane?
The canonical SMILES for (5-ethynylthiophen-2-yl)-trimethylstannane is C#Cc1ccc([Sn](C)(C)C)s1.
What is the InChIKey of (5-ethynylthiophen-2-yl)-trimethylstannane?
The InChIKey is NCBZUZHQPKVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3S.3CH3.Sn/c1-2-6-4-3-5-7-6;;;;/h1,3-4H;3*1H3;.
What are the key properties of (5-ethynylthiophen-2-yl)-trimethylstannane?
(5-ethynylthiophen-2-yl)-trimethylstannane has a molecular weight of 270.97 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethynylthiophen-2-yl)-trimethylstannane is sourced from PubChem (CID 59644824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).