Basic information
- CAS
338960-45-5- Standard SMILES
Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1- InChIKey
HWFDRXOBISZWAO-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O2S2
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
- English name
- 4-CHLOROPHENYL (6-[(4-CHLOROPHENYL)SULFANYL]-2-METHYL-4-PYRIMIDINYL)METHYL SULFONE
- Molecular formula
- C18H14Cl2N2O2S2
- Molecular weight
- 425.35
Names & synonyms
MLS000326227338960-45-54-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine4-((4-Chlorophenyl)sulfanyl)-6-(((4-chlorophenyl)sulfonyl)methyl)-2-methylpyrimidine4-[(4-chlorobenzenesulfonyl)methyl]-6-[(4-chlorophenyl)sulfanyl]-2-methylpyrimidineSMR0001703214-chlorophenyl {6-[(4-chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl sulfoneCHEMBL1407084BDBM77377cid_1479463REGID_for_CID_1479463HMS2274D12
Show more names
4-CHLOROPHENYL (6-[(4-CHLOROPHENYL)SULFANYL]-2-METHYL-4-PYRIMIDINYL)METHYL SULFONEPyrimidine, 4-[[(4-chlorophenyl)sulfonyl]methyl]-6-[(4-chlorophenyl)thio]-2-methyl-4-[(4-CHLOROPHENYL)SULFANYL]-6-([(4-CHLOROPHENYL)SULFONYL]METHYL)-2-METHYLPYRIMIDINE
AKOS0050955315L-324S4-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine4-[(4-chlorophenyl)sulfonylmethyl]-6-[(4-chlorophenyl)thio]-2-methyl-pyrimidine4-[(4-chlorophenyl)sulfonylmethyl]-6-[(4-chlorophenyl)thio]-2-methylpyrimidine
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 636 · 636.0±55.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -1.02 · -1.02±0.43(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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