2-Methyl-4-(methylthio)-6-(tributylstannyl)pyrimidine (HCID 59548280)

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Basic information

Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(SC)nc(C)n1
InChIKey: GIGVBPYQCVMAEE-UHFFFAOYSA-N
Molecular formula: C18H34N2SSn
Average molar mass: 429.3 g/mol

Names & identifiers

Preferred name: 2-Methyl-4-(methylthio)-6-(tributylstannyl)pyrimidine
IUPAC: tributyl-(2-methyl-6-methylsulfanylpyrimidin-4-yl)stannane

Names & synonyms

2-methyl-4-(methylthio)-6-(tributylstannyl)pyrimidineSCHEMBL114188GIGVBPYQCVMAEE-UHFFFAOYSA-NDB-2117482-methyl-4-(methylthio)-6-(tributylstannyl)-pyrimidine1253568-64-7

Database identifiers

PubChem CID: 59548280

Properties

Computed structural properties

Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 22
Formal charge: 0
Complexity: 266

Related reactions

18 records

New reaction record

HRID 188753As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 295759As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 825108As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1115472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1131803As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1559409As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1621366As productuspto-grants-2014_07

HRID 1621492As reactantuspto-grants-2014_07

Compound notes

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