Basic information
- CAS
14725-35-0- Standard SMILES
CSc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
PFUQBWRZKDFUHL-UHFFFAOYSA-N- Molecular formula
- C16H13NOS
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.07178521
Names & identifiers
- Preferred name
- 2-(Methylthio)-4,5-diphenyloxazole
- IUPAC
- 2-methylsulfanyl-4,5-diphenyl-1,3-oxazole
- English name
- 2-(methylthio)-4,5-diphenyloxazole
- Molecular formula
- C16H13NOS
- Molecular weight
- 267.34552
Names & synonyms
2-(Methylthio)-4,5-diphenyloxazole14725-35-0EINECS 238-774-9DTXSID60163640RefChem:84786DTXCID0086131238-774-92-methylsulfanyl-4,5-diphenyl-1,3-oxazole2-(methylsulfanyl)-4,5-diphenyl-1,3-oxazoleSCHEMBL6034286SCHEMBL62490802-methylthio-4,5-diphenyloxazole
Show more names
Oxazole, 2-(methylthio)-4,5-diphenyl-
2-methylthio-4,5-diphenyl-oxazoleAKOS008309907NS00052229
Database identifiers
- CAS
14725-35-0- PubChem CID
- 84609
- DTXSID
DTXSID60163640- EC Number
- 238-774-9
- Nikkaji
- J227.158C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 402.3 · 402.3±48.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 0.85 · 0.85±0.10(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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