1-(3-Methylthiophen-2-yl)propan-1-one
Basic information
- CAS
59303-03-6- Standard SMILES
CCC(=O)c1sccc1C- InChIKey
BNYWLRXOYPUFKD-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Names & identifiers
- Preferred name
- 1-(3-Methylthiophen-2-yl)propan-1-one
- IUPAC
- 1-(3-methylthiophen-2-yl)propan-1-one
- English name
- 3-Methyl-2-propionylthiophene
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
1-(3-methylthiophen-2-yl)propan-1-one59303-03-61-Propanone,1-(3-methyl-2-thienyl)-NSC80388SCHEMBL6129997DTXSID00292120MFCD11870141NSC-80388AKOS010867588H708121-Propanone, 1-(3-methyl-2-thienyl)-
Database identifiers
- CAS
59303-03-6- PubChem CID
- 255134
- DTXSID
DTXSID00292120
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Comptox DTXSID
- 292120 · DTXSID00292120
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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