1-(5-Methyl-2-thienyl)-3-phenyl-2-propen-1-one
Basic information
- CAS
26903-26-4- Standard SMILES
Cc1ccc(C(=O)/C=C/c2ccccc2)s1- InChIKey
AOUMOFQEBZGSPD-CMDGGOBGSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.06088618
Names & identifiers
- Preferred name
- 1-(5-Methyl-2-thienyl)-3-phenyl-2-propen-1-one
- IUPAC
- (E)-1-(5-methylthiophen-2-yl)-3-phenylprop-2-en-1-one
Names & synonyms
NSC4306726903-26-41-(5-Methyl-2-thienyl)-3-phenyl-2-propen-1-one(E)-1-(5-methylthiophen-2-yl)-3-phenylprop-2-en-1-oneNSC 43067SCHEMBL8664744NSC-43067AKOS005657947NCGC00487238-01NSC43067, >=98% (HPLC)(E)-1-(5-methyl-2-thienyl)-3-phenyl-prop-2-en-1-one
Database identifiers
- CAS
26903-26-4- PubChem CID
- 5355674
- EC Number
- 695-436-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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