4-(4-chlorophenyl)-2-phenyl-1,3-thiazole-5-carboxylic Acid
Basic information
- CAS
924644-56-4- Standard SMILES
O=C(O)c1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1- InChIKey
PTXVDUBOLUBNDS-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO2S
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.0120774
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole-5-carboxylic Acid
- IUPAC
- 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
- English name
- 5-Thiazolecarboxylic acid, 4-(4-chlorophenyl)-2-phenyl-
- Molecular formula
- C16H10ClNO2S
- Molecular weight
- 315.77
Names & synonyms
924644-56-44-(4-chlorophenyl)-2-phenyl-1,3-thiazole-5-carboxylic Acid4-(4-Chlorophenyl)-2-phenyl-5-thiazolecarboxylic acid4-(4-Chlorophenyl)-2-phenylthiazole-5-carboxylic acid2-phenyl-4-(4-chlorophenyl)-thiazole-5-carboxylic acidSCHEMBL4485015PTXVDUBOLUBNDS-UHFFFAOYSA-NDTXSID1012153804-(4-chlorophenyl)-2-phenyl-thiazole-5-carboxylic acid5-Thiazolecarboxylic acid, 4-(4-chlorophenyl)-2-phenyl-
Database identifiers
- CAS
924644-56-4- PubChem CID
- 5284560
- DTXSID
DTXSID101215380
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- form
- solid
- InChI
- 1S/C16H10ClNO2S/c17-12-8-6-10(7-9-12)13-14(16(19)20)21-15(18-13)11-4-2-1-3-5-11/h1-9H,(H,19,20)
- InChIKey
- PTXVDUBOLUBNDS-UHFFFAOYSA-N
- SMILES
- ClC1=CC=C(C(N=C2C3=CC=CC=C3)=C(S2)C(O)=O)C=C1
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 310 · H310-H315-H319-H410
- Precautionary statements
- 262 · P262-P273-P280-P302+P352+P310-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H310-H315-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P262-P273-P280-P302+P352+P310-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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