Basic information
- CAS
1011-52-5- Standard SMILES
CSc1ccc(-c2cnco2)cc1- InChIKey
MPSFQDFVYQQQLG-UHFFFAOYSA-N- Molecular formula
- C10H9NOS
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.04048508
Names & identifiers
- Preferred name
- 5-[4-(Methylthio)phenyl]oxazole
- IUPAC
- 5-(4-methylsulfanylphenyl)-1,3-oxazole
- English name
- Oxazole, 5-[4-(methylthio)phenyl]-
- Molecular formula
- C10H9NOS
- Molecular weight
- 191.25
Names & synonyms
1011-52-55-[4-(Methylthio)phenyl]oxazoleOxazole, 5-[4-(methylthio)phenyl]-SCHEMBL28928785DTXSID8013047005-[4-(Methylsulfanyl)phenyl]-1,3-oxazoleH600035-(4-(Methylthio)phenyl)oxazole
Database identifiers
- CAS
1011-52-5- PubChem CID
- 85523943
- DTXSID
DTXSID801304700
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 329.3 · 329.3±25.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 0.52 · 0.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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