{6-[(4-Chlorobenzyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
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Basic information
- CAS
338747-83-4- Standard SMILES
COCc1cc(SCc2ccc(Cl)cc2)nc(C)n1- InChIKey
AWITWNZEMGCJNE-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2OS
- Average molar mass
- 294.8 g/mol
Names & identifiers
- Preferred name
- {6-[(4-Chlorobenzyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
- IUPAC
- 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidine
- English name
- (6-[(4-Chlorobenzyl)sulfanyl]-2-methyl-4-pyrimidinyl)methyl methyl ether
- Molecular formula
- C14H15ClN2OS
- Molecular weight
- 294.8
Names & synonyms
338747-83-4{6-[(4-chlorobenzyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether4-{[(4-chlorophenyl)methyl]sulfanyl}-6-(methoxymethyl)-2-methylpyrimidine4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-methylpyrimidineAKOS0050903144M-513S4-[(4-CHLOROBENZYL)SULFANYL]-6-(METHOXYMETHYL)-2-METHYLPYRIMIDINE(6-[(4-Chlorobenzyl)sulfanyl]-2-methyl-4-pyrimidinyl)methyl methyl etherPyrimidine, 4-[[(4-chlorophenyl)methyl]thio]-6-(methoxymethyl)-2-methyl-
Database identifiers
- CAS
338747-83-4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 406.3 · 406.3±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 0.85 · 0.85±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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