Methyl 2-amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 351981-10-7
Catalog: |
BB044708 |
Product Name: |
Methyl 2-amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
351981-10-7 |
Synonyms: |
2-amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester; Methyl 2-amino-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; methyl 2-amino-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
IUPAC Name: | methyl 2-amino-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Methyl 2-amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 351981-10-7 ) is a useful research chemical. |
Molecular Weight: | 281.41 |
Molecular Formula: | C15H23NO2S |
Canonical SMILES: | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N |
InChI: | InChI=1S/C15H23NO2S/c1-5-15(2,3)9-6-7-10-11(8-9)19-13(16)12(10)14(17)18-4/h9H,5-8,16H2,1-4H3 |
InChI Key: | LPKSLOJMDBPGDS-UHFFFAOYSA-N |
Boiling Point: | 428.6±45.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.14495015 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.14495015 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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