Basic information
- CAS
118564-89-9- Standard SMILES
CC(NO)c1cc2ccccc2s1- InChIKey
YPKATNMCYFSXKB-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Names & identifiers
- Preferred name
- N-[1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
- IUPAC
- N-[1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
- English name
- 2-(1-HYDROXYLAMINOETHYL)-BENZOTHIOPHENE
- Molecular formula
- C10H11NOS
- Molecular weight
- 193.27
Names & synonyms
118564-89-9N-[1-(1-benzothiophen-2-yl)ethyl]hydroxylamine1-(N-hydroxyamino)-1-(benzothien-2-yl)ethane2-(1-HYDROXYLAMINOETHYL)-BENZOTHIOPHENEN-(1-(benzo[b]thiophen-2-yl)ethyl)hydroxylamineN-?(1-?Benzo[b]?thiophen-?2-?yl-?ethyl)?-?hydroxylamineN-Des(aminocarbonyl) ZileutonSCHEMBL1444768YPKATNMCYFSXKB-UHFFFAOYSA-NAKOS000280122AKOS040765182N-(1-benzo[b]thien-2-yl)ethylhydroxylamine
Show more names
AKOS 91248Zileuton impurity-AZileuton Impurity 8N-(1-BENZO[B]THIOPHEN-2-YL-ETHYL)-HYDROXYLAMINEBenzo[b]thiophene-2-methanamine, N-hydroxy-α-methyl-
Database identifiers
- CAS
118564-89-9- PubChem CID
- 3692736
- Nikkaji
- J532.082H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 366.8 · 366.8±44.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 13.08 · 13.08±0.50(Predicted)
Chemistry & industry
Applications
UsesN-(1-Benzo[b]thiophen-2-yl-ethyl)-hydroxylamine is a reagent used in the preparation of Zileuton, an anti-asthmatic drug.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Related reactions
1 records
Compound notes
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