2-Thiophenecarboxylic acid, 5-(tributylstannyl)-, methyl ester

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Basic information

CAS: 157025-32-6
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccc(C(=O)OC)s1
InChIKey: JKIKBEDUDKMKTF-UHFFFAOYSA-N
Molecular formula: C18H32O2SSn
Average molar mass: 431.2 g/mol
Monoisotopic mass: 432.114504

Names & identifiers

Preferred name: 2-Thiophenecarboxylic acid, 5-(tributylstannyl)-, methyl ester
IUPAC: methyl 5-tributylstannylthiophene-2-carboxylate

Names & synonyms

157025-32-62-Thiophenecarboxylic acid, 5-(tributylstannyl)-, methyl estermethyl 5-(tributylstannyl)thiophene-2-carboxylateSCHEMBL60301065-tributylstannanylthiophene-2-carboxylic acid methyl esterDTXSID70434752JKIKBEDUDKMKTF-UHFFFAOYSA-NDB-1392495-(Tributylstannyl)-2-thiophenecarboxylic acid methyl ester

Database identifiers

CAS: 157025-32-6
PubChem CID: 10048367
DTXSID: DTXSID70434752

Properties

Computed structural properties

Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 22
Formal charge: 0
Complexity: 300

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Compound notes

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