Basic information
- CAS
477866-64-1- Standard SMILES
CONC=Cc1nc(SCc2ccc(Cl)cc2)nnc1C- InChIKey
JYQPVTTZJHBZJG-UHFFFAOYSA-N- Molecular formula
- C14H15ClN4OS
- Average molar mass
- 322.8 g/mol
Names & identifiers
- Preferred name
- 2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-methoxyethenamine
- IUPAC
- 2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N-methoxyethenamine
- English name
- 3-[(4-Chlorobenzyl)sulfanyl]-5-[2-(methoxyamino)vinyl]-6-methyl-1,2,4-triazine
- Molecular formula
- C14H15ClN4OS
- Molecular weight
- 322.81
Names & synonyms
3-[(4-Chlorobenzyl)sulfanyl]-5-[2-(methoxyamino)vinyl]-6-methyl-1,2,4-triazineEthenamine, 2-[3-[[(4-chlorophenyl)methyl]thio]-6-methyl-1,2,4-triazin-5-yl]-N-methoxy-N-(2-(3-[(4-CHLOROBENZYL)SULFANYL]-6-METHYL-1,2,4-TRIAZIN-5-YL)VINYL)-O-METHYLHYDROXYLAMINE[(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl](methoxy)amine
Database identifiers
- CAS
477866-64-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 500.973 · 500.973±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.333 · 1.333±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.104 · 1.104±0.63(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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