| CAS Number | 956502-03-7 |
| Catalog Number | AG01BB9P |
| Chemical Name | Tert-butyl 5-methylthiophene-2-carboxylate |
| IUPAC Name | tert-butyl 5-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C10H14O2S/c1-7-5-6-8(13-7)9(11)12-10(2,3)4/h5-6H,1-4H3 |
| InChI Key | GOENRCUFJQBADS-UHFFFAOYSA-N |
| MDL Number | MFCD19600073 |
| Molecular Formula | C10H14O2S |
| Molecular Weight | 198.2820 |
| SMILES | CC1SC(C(OC(C)(C)C)=O)=CC=1 |
| Synonyms | tert-butyl 5-methylthiophene-2-carboxylate,
956502-03-7,
SCHEMBL4345360,
GOENRCUFJQBADS-UHFFFAOYSA-N,
ZINC82671151,
AKOS013211248,
DA-40121,
FT-0755591,
5-methyl-thiophene-2-carboxylic acid tert-butyl ester,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.28g/mol |
| Monoisotopic Mass | 198.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number