Methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 351980-88-6
Catalog: |
BB044732 |
Product Name: |
Methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
351980-88-6 |
Synonyms: |
2-amino-6-ethyl-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylic acid methyl ester; methyl 2-amino-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate |
IUPAC Name: | methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Methyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 351980-88-6 ) is a useful research chemical. |
Molecular Weight: | 239.33 |
Molecular Formula: | C12H17NO2S |
Canonical SMILES: | CCC1CCC2=C(C1)SC(=C2C(=O)OC)N |
InChI: | InChI=1S/C12H17NO2S/c1-3-7-4-5-8-9(6-7)16-11(13)10(8)12(14)15-2/h7H,3-6,13H2,1-2H3 |
InChI Key: | OAGCBMZNJLDSNV-UHFFFAOYSA-N |
Boiling Point: | 408.7±45.0 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.09799996 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.09799996 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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