2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile - CAS 329222-96-0
Catalog: |
BB046854 |
Product Name: |
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
CAS: |
329222-96-0 |
Synonyms: |
2-amino-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile; 2-amino-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile |
IUPAC Name: | 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Description: | 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS# 329222-96-0 ) is a useful research chemical. |
Molecular Weight: | 206.31 |
Molecular Formula: | C11H14N2S |
Canonical SMILES: | CCC1CCC2=C(C1)SC(=C2C#N)N |
InChI: | InChI=1S/C11H14N2S/c1-2-7-3-4-8-9(6-12)11(13)14-10(8)5-7/h7H,2-5,13H2,1H3 |
InChI Key: | UJSSIVVJQQNBCO-UHFFFAOYSA-N |
Boiling Point: | 401.3±45.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.08776963 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.08776963 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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