| CAS Number | 120889-75-0 |
| Catalog Number | AG0080R2(AGN-PC-010KX4) |
| Chemical Name | 5-(Aminomethyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(aminomethyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H7NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H,8,9) |
| InChI Key | VHWSFLJKPUEMJW-UHFFFAOYSA-N |
| MDL Number | MFCD06803416 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | C1(=CC=C(CN)S1)C(O)=O |
| Synonyms | 5-(AMINOMETHYL)THIOPHENE-2-CARBOXYLIC ACID,
120889-75-0,
5-(Aminomethyl)-2-thiophenecarboxylic acid,
CHEMBL2147348,
SCHEMBL7419192,
CHEMBL2220118,
CTK4B2090,
DTXSID30586201,
BDBM50391515,
MFCD06803416,
ZINC16942541,
AKOS000321030,
MCULE-7290452450,
AJ-69644,
AB1007595,
BB 0220362,
2-Thiophenecarboxylic acid, 5-(aminomethyl)-,
Y-2582,
null,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number