| CAS Number | 70733-09-4 |
| Catalog Number | AG019EXC(AGN-PC-0TYHGE) |
| Chemical Name | 2-Amino-4,5,6,7-tetrahydro-5-methylbenzo[b]thiophene-3-carboxamide |
| IUPAC Name | 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| InChI | InChI=1S/C10H14N2OS/c1-5-2-3-7-6(4-5)8(9(11)13)10(12)14-7/h5H,2-4,12H2,1H3,(H2,11,13) |
| InChI Key | MCIXNCZSSYQKMG-UHFFFAOYSA-N |
| MDL Number | MFCD05023240 |
| Molecular Formula | C10H14N2OS |
| Molecular Weight | 210.2960 |
| SMILES | O=C(C1=C(N)SC2=C1CC(C)CC2)N |
| Synonyms | 70733-09-4,
2-Amino-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide,
2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide,
AC1NA4DE,
Oprea1_094358,
SCHEMBL3914877,
AKOS022650269,
CS-0036072,
CID4421007,
2-amino-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.295g/mol |
| Monoisotopic Mass | 210.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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