| CAS Number | 57907-49-0 |
| Catalog Number | AG00F1L5(AGN-PC-00PNXO) |
| Chemical Name | Methyl 6-Aminobenzo[B]Thiophene-2-Carboxylate |
| IUPAC Name | methyl 6-amino-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H9NO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,11H2,1H3 |
| InChI Key | XIUHYFQAAXIVBY-UHFFFAOYSA-N |
| MDL Number | MFCD11840222 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | O=C(OC)C=1SC=2C=C(N)C=CC2C1 |
| Synonyms | 57907-49-0,
Methyl 6-aminobenzo[b]thiophene-2-carboxylate,
methyl 6-amino-1-benzothiophene-2-carboxylate,
Benzo[b]thiophene-2-carboxylic acid, 6-amino-, methyl ester,
SCHEMBL999671,
XIUHYFQAAXIVBY-UHFFFAOYSA-N,
MFCD11840222,
ZINC34581882,
AKOS022168281,
AH-0717,
FCH1405862,
KS-0000224E,
OR310440,
Methyl 6-aminobenzothiophene-2-carboxylate,
6-amino-benzo[b]thiophene-2-carboxylic acid methyl ester,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number