| CAS Number | 923249-03-0 |
| Catalog Number | AG019K5M |
| Chemical Name | 5-(2,2-dimethylpropanamido)-3-methylthiophene-2-carboxylic acid |
| IUPAC Name | 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO3S/c1-6-5-7(16-8(6)9(13)14)12-10(15)11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14) |
| InChI Key | QLYPBEHDVISVBV-UHFFFAOYSA-N |
| MDL Number | MFCD08444435 |
| Molecular Formula | C11H15NO3S |
| Molecular Weight | 241.3067 |
| SMILES | CC1=C(C(O)=O)SC(NC(C(C)(C)C)=O)=C1 |
| Synonyms | 5-(2,2-dimethylpropanamido)-3-methylthiophene-2-carboxylic acid,
5-[(2,2-dimethylpropanoyl)amino]-3-methylthiophene-2-carboxylic acid,
923249-03-0,
AC1Q2GGL,
CTK7F3793,
ZINC9738287,
SBB078310,
AKOS000264285,
MCULE-4949957525,
NE48477,
EN300-25613,
3-methyl-5-pivalamidothiophene-2-carboxylic acid,
Z217102780,
5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylic acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.305g/mol |
| Monoisotopic Mass | 241.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number