3-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
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Basic information
- CAS
315707-35-8- Standard SMILES
Oc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1- InChIKey
TZEFHDHSQJYXAU-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2OS
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 345.97755
Names & identifiers
- Preferred name
- 3-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
- IUPAC
- 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol
- English name
- 3-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}phenol
- Molecular formula
- C15H11BrN2OS
- Molecular weight
- 347.23
Names & synonyms
3-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino}phenol3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenolCBMicro_008923SMSF0010067AKOS002273846ST50171210AP-263/401015723-{[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]AMINO}PHENOL HYDROBROMIDEPhenol, 3-[[4-(4-bromophenyl)-2-thiazolyl]amino]-
Database identifiers
- CAS
315707-35-8- PubChem CID
- 877564
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 522.3 · 522.3±60.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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