5-Phenylthiazole

HCID 595209

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Basic information

CAS: 1826-13-7
Standard SMILES: c1ccc(-c2cncs2)cc1
InChIKey: ZLLOWHFKKIOINR-UHFFFAOYSA-N
Molecular formula: C9H7NS
Average molar mass: 161.23 g/mol
Monoisotopic mass: 161.02992022

Names & identifiers

Preferred name: 5-Phenylthiazole
IUPAC: 5-phenyl-1,3-thiazole
English name: 5-Phenylthiazole
Molecular formula: C9H7NS
Molecular weight: 161.22

Names & synonyms

5-phenylthiazole1826-13-7Thiazole, 5-phenyl-5-Phenyl-1,3-thiazoleMFCD129115915-Phenyl-1,3-thiazole #SCHEMBL488945-phenyl-1,3-thiazole, 34BDBM24682DTXSID30344227DS-17853CS-0156397

Show more names

Thiazole,5-phenyl-

O11489FT-0653717SCHEMBL6260SCHEMBL69540SCHEMBL270668CHEMBL445228SCHEMBL3609293SCHEMBL4531816

Database identifiers

CAS: 1826-13-7
PubChem CID: 595209
DTXSID: DTXSID30344227
ChEMBL: CHEMBL445228
Nikkaji: J143.995B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 45 · 45-46 °C
Boiling point: 292.7 · 292.7±9.0 °C(Predicted)
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.41 · 2.41±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338