2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide - CAS 328270-02-6
Catalog: |
BB044731 |
Product Name: |
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
CAS: |
328270-02-6 |
Synonyms: |
2-amino-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide; 2-Amino-6-ethyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide |
IUPAC Name: | 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Description: | 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS# 328270-02-6 ) is a useful research chemical. |
Molecular Weight: | 224.32 |
Molecular Formula: | C11H16N2OS |
Canonical SMILES: | CCC1CCC2=C(C1)SC(=C2C(=O)N)N |
InChI: | InChI=1S/C11H16N2OS/c1-2-6-3-4-7-8(5-6)15-11(13)9(7)10(12)14/h6H,2-5,13H2,1H3,(H2,12,14) |
InChI Key: | DDTYZCRSUWTPDY-UHFFFAOYSA-N |
Boiling Point: | 349.9±42.0 °C (Predicted) |
Purity: | 98 % |
Density: | 1.217±0.06 g/cm3 (Predicted) |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.09833431 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.09833431 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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