Basic information
- CAS
175136-16-0- Standard SMILES
Nc1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1- InChIKey
URKCZGXGRQONQI-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2OS
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 350.0047396
Names & identifiers
- Preferred name
- 4-{4-[(3,4-Dichlorobenzyl)oxy]phenyl}-1,3-thiazol-2-amine
- IUPAC
- 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
- English name
- 4-{4-[(3,4-dichlorobenzyl)oxy]phenyl}-1,3-thiazol-2-amine
- Molecular formula
- C16H12Cl2N2OS
- Molecular weight
- 351.25
Names & synonyms
175136-16-04-{4-[(3,4-dichlorobenzyl)oxy]phenyl}-1,3-thiazol-2-amine4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine2-Thiazolamine, 4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-4-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazol-2-amineOprea1_121676DTXSID60384237
Database identifiers
- CAS
175136-16-0- PubChem CID
- 2801366
- DTXSID
DTXSID60384237
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 542.2 · 542.2±50.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- 4.44 · 4.44±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Ryan Scientific, Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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