| CAS Number | 1552698-76-6 |
| Catalog Number | AG01B1R7 |
| Chemical Name | tert-Butyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| IUPAC Name | tert-butyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| InChI | InChI=1S/C14H21NO2S/c1-8-5-6-9-10(7-8)18-12(15)11(9)13(16)17-14(2,3)4/h8H,5-7,15H2,1-4H3 |
| InChI Key | VSZGOMPRQXZCIW-UHFFFAOYSA-N |
| MDL Number | MFCD02287895 |
| Molecular Formula | C14H21NO2S |
| Molecular Weight | 267.3870 |
| SMILES | CC1CC2=C(C(=C(S2)N)C(OC(C)(C)C)=O)CC1 |
| Synonyms | tert-butyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate,
1552698-76-6,
AKOS020805897,
MCULE-4376947761,
NE22412,
Z1824511351,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.387g/mol |
| Monoisotopic Mass | 267.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number