| CAS Number | 1094486-06-2 |
| Catalog Number | AG01AAI4 |
| Chemical Name | 2-amino-N-methyl-8H-indeno[2,1-b]thiophene-3-carboxamide |
| IUPAC Name | 2-amino-N-methyl-4H-indeno[2,1-b]thiophene-1-carboxamide |
| InChI | InChI=1S/C13H12N2OS/c1-15-13(16)11-10-8-5-3-2-4-7(8)6-9(10)17-12(11)14/h2-5H,6,14H2,1H3,(H,15,16) |
| InChI Key | UTGUUVLQOMRBEF-UHFFFAOYSA-N |
| MDL Number | MFCD11653115 |
| Molecular Formula | C13H12N2OS |
| Molecular Weight | 244.3122 |
| SMILES | CNC(C1C2=C(CC3=C2C=CC=C3)SC=1N)=O |
| Synonyms | 2-amino-N-methyl-8H-indeno[2,1-b]thiophene-3-carboxamide,
1094486-06-2,
AC1Q40JX,
AKOS005926557,
ZINC100619597,
MCULE-9250925522,
NE52272,
EN300-68673,
Z1263602468,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.312g/mol |
| Monoisotopic Mass | 244.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number