Basic information
- CAS
338960-88-6- Standard SMILES
Clc1ccc(CSCc2cc(Sc3ccc(Cl)cc3)nc(-c3ccccn3)n2)cc1- InChIKey
VAIOVVZQTNBKIO-UHFFFAOYSA-N- Molecular formula
- C23H17Cl2N3S2
- Average molar mass
- 470.4 g/mol
Names & identifiers
- Preferred name
- 4-(((4-Chlorobenzyl)sulfanyl)methyl)-6-((4-chlorophenyl)sulfanyl)-2-(2-pyridinyl)pyrimidine
- IUPAC
- 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-chlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
- English name
- 4-([(4-Chlorobenzyl)sulfanyl]methyl)-6-[(4-chlorophenyl)sulfanyl]-2-(2-pyridinyl)pyrimidine
- Molecular formula
- C23H17Cl2N3S2
- Molecular weight
- 470.44
Names & synonyms
338960-88-64-(((4-Chlorobenzyl)sulfanyl)methyl)-6-((4-chlorophenyl)sulfanyl)-2-(2-pyridinyl)pyrimidine4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(4-chlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine4-[(4-chlorophenyl)methylsulfanylmethyl]-6-(4-chlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidineAKOS0050955975L-533S4-CHLOROBENZYL [6-[(4-CHLOROPHENYL)SULFANYL]-2-(2-PYRIDINYL)-4-PYRIMIDINYL]METHYL SULFIDE4-([(4-Chlorobenzyl)sulfanyl]methyl)-6-[(4-chlorophenyl)sulfanyl]-2-(2-pyridinyl)pyrimidinePyrimidine, 4-[[[(4-chlorophenyl)methyl]thio]methyl]-6-[(4-chlorophenyl)thio]-2-(2-pyridinyl)-
Database identifiers
- CAS
338960-88-6
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 580.9 · 580.9±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 0.48 · 0.48±0.19(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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