| CAS Number | 23964-56-9 |
| Catalog Number | AG01BHUS(AGN-PC-0QZYXZ) |
| Chemical Name | Methyl 3-(2-chloropropanamido)-4-methylthiophene-2-carboxylate |
| IUPAC Name | methyl 3-(2-chloropropanoylamino)-4-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C10H12ClNO3S/c1-5-4-16-8(10(14)15-3)7(5)12-9(13)6(2)11/h4,6H,1-3H3,(H,12,13) |
| InChI Key | SPKRZDZVDTWKDM-UHFFFAOYSA-N |
| MDL Number | MFCD01855935 |
| Molecular Formula | C10H12ClNO3S |
| Molecular Weight | 261.7252 |
| SMILES | COC(C1=C(NC(C(Cl)C)=O)C(C)=CS1)=O |
| Synonyms | 23964-56-9,
METHYL 3-(2-CHLOROPROPANAMIDO)-4-METHYLTHIOPHENE-2-CARBOXYLATE,
AC1LC9ZL,
SPKRZDZVDTWKDM-UHFFFAOYSA-N,
STL304651,
AKOS022126858,
MCULE-3125515312,
methyl 3-(2-chloropropanoylamino)-4-methylthiophene-2-carboxylate,
methyl 3-[(2-chloropropanoyl)amino]-4-methylthiophene-2-carboxylate,
Methyl 3-[(2-chloropropanoyl)amino]-4-methyl-2-thiophenecarboxylate #,
Thiophene, 2-(carbomethoxy)-3-(1-chloroethylcarbonylamino)-4-methyl-,
C10H12ClNO3S,
CID597267,
ZINC00499653,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.72g/mol |
| Monoisotopic Mass | 261.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number