Benzo[b]thiophene-2,3-dione, 2-oxime
Basic information
- CAS
53599-13-6- Standard SMILES
O=Nc1sc2ccccc2c1O- InChIKey
TUKHPVUSNYULKR-UHFFFAOYSA-N- Molecular formula
- C8H5NO2S
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.00409958
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2,3-dione, 2-oxime
- IUPAC
- 2-nitroso-1-benzothiophen-3-ol
- English name
- 2,3-Dihydro-2-hydroxyiminobenzo[b]thiophen-3-one
- Molecular weight
- 179.2
Names & synonyms
NSC14958953599-13-62,3-Dihydro-2-hydroxyiminobenzo[b]thiophen-3-oneSCHEMBL5190730SCHEMBL5190736DTXSID70423429TUKHPVUSNYULKR-HJWRWDBZSA-NNSC-149589Benzo[b]thiophene-2,3-dione, 2-oximeDB-292171(2E)-2-(Hydroxyimino)-1-benzothiophen-3(2H)-one
Database identifiers
- CAS
53599-13-6- PubChem CID
- 288394
- DTXSID
DTXSID70423429- Nikkaji
- J89.798A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 407.615 · 407.615±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.518 · 1.518±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.657 · 7.657±0.20(predicted)
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Compound notes
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