(E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime - CAS 147396-07-4
Catalog: |
BB073691 |
Product Name: |
(E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime |
CAS: |
147396-07-4 |
Synonyms: |
(Z)-1-(Benzo[b]thiophen-2-yl)acetaldehyde oxime; METHYL-(BENZOTHIOPHEN-2-YL)-OXIME; (NE)-N-[1-(1-benzothiophen-2-yl)ethylidene]hydroxylamine |
IUPAC Name: | (NE)-N-[1-(1-benzothiophen-2-yl)ethylidene]hydroxylamine |
Description: | (E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime is an isomer of N- (1- Benzo[b] thiophen- 2- yl- ethyl) - hydroxylamine a reagent used in the preparation of Zileuton, an anti-asthmatic drug. |
Molecular Weight: | 191.25 |
Molecular Formula: | C10H9NOS |
Canonical SMILES: | CC(=NO)C1=CC2=CC=CC=C2S1 |
InChI: | InChI=1S/C10H9NOS/c1-7(11-12)10-6-8-4-2-3-5-9(8)13-10/h2-6,12H,1H3/b11-7+ |
InChI Key: | LYNWDHNMGAKITE-YRNVUSSQSA-N |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 191.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.04048508 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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