Basic information
- CAS
35319-70-1- Standard SMILES
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Sc1ccc(Cl)cc1- InChIKey
YLEMUUWGEWKCGK-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O2S
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.0495256
Overview
Tiazuril is an aryl sulfide.
Names & identifiers
- Preferred name
- 2-(4-((4-Chlorophenyl)thio)-3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
- English name
- Tiazuril
- Molecular formula
- C17H14ClN3O2S
- Molecular weight
- 359.83
Names & synonyms
Tiazuril35319-70-1TiazurilumCP-25,673Tiazurilo14LS8QHX0UCP-25673DTXSID301888252-(4-((4-Chlorophenyl)thio)-3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione2-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethylphenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione2-(4-((4-chlorophenyl)sulfanyl)-3,5-dimethylphenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dioneRefChem:909268
Show more names
2-[4-[(p-Chlorophenyl)thio]-3,5-xylyl]-1,2,4-triazine-3,5(2H,4H)-dione2-[4-[(p-Chlorophenyl)thio]-3,5-dimethylphenyl]-1,2,4-triazine-3,5(2H,4H)-dione1,2,4-Triazine-3,5(2H,4H)-dione, 2-[4-[(4-chlorophenyl)thio]-3,5-dimethylphenyl]-
DTXCID90111316Tiazuril [USAN:INN]Tiazuril (USAN/INN)2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione1,2,4-Triazine-3,5(2H,4H)-dione, 2-(4-((4-chlorophenyl)thio)-3,5-dimethylphenyl)-Tiazurilum [INN-Latin]UNII-14LS8QHX0UTIAZURIL [USAN]
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Melting Point132 - 135 °C
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.20(Predicted)
- FDA UNII
- 14 LS8QHX0U · 14LS8QHX0U
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers2 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Tiazuril is an aryl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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