| CAS Number | 69213-96-3 |
| Catalog Number | AG00FG59(AGN-PC-038529) |
| Chemical Name | 1-(5-Methylthiophen-3-yl)ethanone |
| IUPAC Name | 1-(5-methylthiophen-3-yl)ethanone |
| InChI | InChI=1S/C7H8OS/c1-5-3-7(4-9-5)6(2)8/h3-4H,1-2H3 |
| InChI Key | KGTCXUVNIBOXQA-UHFFFAOYSA-N |
| MDL Number | MFCD21120473 |
| Molecular Formula | C7H8OS |
| Molecular Weight | 140.2028 |
| SMILES | CC(C1C=C(C)SC=1)=O |
| Synonyms | 1-(5-Methylthiophen-3-yl)ethanone,
69213-96-3,
1-(5-Methylthiophen-3-yl)ethan-1-one,
3-acetyl-5-methylthiophene,
SCHEMBL1636756,
DTXSID10612052,
KGTCXUVNIBOXQA-UHFFFAOYSA-N,
Methyl 2-Methyl-4-thienyl Ketone,
ZINC82761256,
AKOS013989747,
AJ-125576,
Z2234185688,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.2g/mol |
| Monoisotopic Mass | 140.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number