| CAS Number | 501082-56-0 |
| Catalog Number | AG00DLVG(AGN-PC-0D1EU3) |
| Chemical Name | methyl4-amino-5-methylthiophene-2-carboxylate |
| IUPAC Name | methyl 4-amino-5-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C7H9NO2S/c1-4-5(8)3-6(11-4)7(9)10-2/h3H,8H2,1-2H3 |
| InChI Key | ZTTXAKCLKGBDIR-UHFFFAOYSA-N |
| MDL Number | MFCD14694722 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | COC(=O)c1cc(c(s1)C)N |
| Synonyms | methyl 4-amino-5-methylthiophene-2-carboxylate,
501082-56-0,
methyl4-amino-5-methylthiophene-2-carboxylate,
SCHEMBL1417353,
ZTTXAKCLKGBDIR-UHFFFAOYSA-N,
MFCD14694722,
ZINC48671139,
AKOS010564566,
FT-0702599,
K-9286,
Z2284390848,
4-amino-5-methyl-thiophene-2-carboxylic acid methyl ester,
5-methyl-4-amino-thiophene-2-carboxylic acid methyl ester,
2-Thiophenecarboxylic acid, 4-amino-5-methyl-, methyl ester,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number