Basic information
- CAS
27302-90-5- Standard SMILES
CS(=O)CC(=O)c1ccccn1- InChIKey
DSWLRNLRVBAVFC-UHFFFAOYSA-N- Molecular formula
- C8H9NO2S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.0353997
Overview
proposed antineoplastic & immunosuppressive agent; minor descriptor (75-86); on-line & INDEX MEDICUS search PYRIDINES (75-86)
Names & identifiers
- Preferred name
- Oxisuran
- IUPAC
- 2-methylsulfinyl-1-pyridin-2-ylethanone
- English name
- Oxisuran
- Molecular formula
- C8H9NO2S
- Molecular weight
- 183.23
Names & synonyms
OXISURANIsmisupren27302-90-5OxisuranumW 6495(Methylsulfinyl)methyl 2-pyridyl ketoneKetone, (methylsulfinyl)methyl 2-pyridyl2-((Methylsulfinyl)acetyl)pyridineNSC-356716NJM3553DH2W-64952-[(Methylsulfinyl)acetyl]pyridine
Show more names
W6495NSC 356716BRN 1526159
RefChem:928372Ethanone, 2-(methylsulfinyl)-1-(2-pyridinyl)-2-methylsulfinyl-1-pyridin-2-ylethanonePyridine, 2-((methylsulfinyl)acetyl)-NSC356716OxisuranoOxisuran [USAN:INN]Oxisuranum [INN-Latin]
Database identifiers
- CAS
27302-90-5- PubChem CID
- 33770
- DTXSID
DTXSID60865359- ChEMBL
CHEMBL2106596- UNII
- NJM3553DH2
- Nikkaji
- J10.722K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 78 · 78-79 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 408.3 · 408.3±25.0 °C(Predicted)
- Density
- 1.2627 · 1.2627 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
- pka
- 2.03 · 2.03±0.10(Predicted)
- FDA UNII
- 3553 DH2 · NJM3553DH2
Chemistry & industry
Applications
UsesAntineoplastic.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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