| CAS Number | 1020253-47-7 |
| Catalog Number | AG01ACCZ |
| Chemical Name | 3-(1H-1,2,3-triazol-1-yl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-(triazol-1-yl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H5N3O2S/c11-7(12)6-5(1-4-13-6)10-3-2-8-9-10/h1-4H,(H,11,12) |
| InChI Key | BOZOINXKHGGUHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09260337 |
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.1985 |
| SMILES | OC(C1=C(N2N=NC=C2)C=CS1)=O |
| Synonyms | 3-(1H-1,2,3-triazol-1-yl)thiophene-2-carboxylic acid,
1020253-47-7,
3-(1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylic acid,
ZINC68675305,
AKOS006331601,
AP-501/43397250,
3-[1, 2, 3]Triazol-1-yl-thiophene-2-carboxylic acid,
Z2284394702,
3-(triazol-1-yl)thiophene-2-carboxylic acid,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.196g/mol |
| Monoisotopic Mass | 195.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number