Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 213192-26-8
Catalog: |
BB044709 |
Product Name: |
Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
213192-26-8 |
Synonyms: |
methyl 2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 2-Amino-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 213192-26-8 ) is a useful research chemical. |
Molecular Weight: | 267.39 |
Molecular Formula: | C14H21NO2S |
Canonical SMILES: | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N |
InChI: | InChI=1S/C14H21NO2S/c1-14(2,3)8-5-6-9-10(7-8)18-12(15)11(9)13(16)17-4/h8H,5-7,15H2,1-4H3 |
InChI Key: | BYFPSGIBNPFZOY-UHFFFAOYSA-N |
Melting Point: | 120-125 °C |
Purity: | 98 % |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.12930009 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.12930009 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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