4-(4-Biphenylyl)-2-methylthiazole
Basic information
- CAS
24864-19-5- Standard SMILES
Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1- InChIKey
OKOZRTTWERNRQS-UHFFFAOYSA-N- Molecular formula
- C16H13NS
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.07687059
Names & identifiers
- Preferred name
- 4-(4-Biphenylyl)-2-methylthiazole
- IUPAC
- 2-methyl-4-(4-phenylphenyl)-1,3-thiazole
- English name
- 4-(4-Biphenylyl)-2-methylthiazole
- Molecular formula
- C16H13NS
- Molecular weight
- 251.35
Names & synonyms
24864-19-54-(4-Biphenylyl)-2-methylthiazole4-([1,1'-biphenyl]-4-yl)-2-methylthiazole2-methyl-4-(4-phenylphenyl)-1,3-thiazole2-Methyl-4-(4-biphenylyl)thiazole4-(4-Biphenylyl)-2-methyl-1,3-thiazoleThiazole, 4-(4-biphenylyl)-2-methyl-Thiazole, 4-[1,1'-biphenyl]-4-yl-2-methyl-MFCD00005333SXR7D2V9JPThiazole, 4-(1,1'-biphenyl)-4-yl-2-methyl-2-methyl-4-(4-phenylphenyl)thiazole
Show more names
LABOTEST-BB LT004408802-Methyl-4-(4-biphenyl)thiazole4-(4-BIPHENYLYL)-2-METHYLTHIAZOLE 97%4-(4-Biphenylyl)-2-methylthiazole,97%2-Methyl-4-(4-biphenylyl)thiazole, 97%4-(1,1'-Biphenyl-4-yl)-2-methylthiazole
NSC-1222834-{[1,1'-BIPHENYL]-4-YL}-2-METHYL-1,3-THIAZOLE4-([1,1'-Biphenyl]-4-yl)-2-methyl-1,3-thiazoleEINECS 246-505-1UNII-SXR7D2V9JPSCHEMBL9528793DTXSID70179575GEO-00326
Database identifiers
- CAS
24864-19-5- PubChem CID
- 90635
- DTXSID
DTXSID70179575- UNII
- SXR7D2V9JP
- EC Number
- 246-505-1
- Nikkaji
- J124.151F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 113 · 113-118 °C
- Density
- 1.1486 · 1.1486 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- form
- solid
- InChI
- 1S/C16H13NS/c1-12-17-16(11-18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3
- InChIKey
- OKOZRTTWERNRQS-UHFFFAOYSA-N
- SMILES
- Cc1nc(cs1)-c2ccc(cc2)-c3ccccc3
- FDA UNII
- 7 D2V9JP · SXR7D2V9JP
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29341000
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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