4-Methyl-6-nitro-2(1H)-quinolinethione
Basic information
- CAS
52323-11-2- Standard SMILES
Cc1cc(=S)[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
OEQJWMMFGCSFOO-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.03064868
Names & identifiers
- Preferred name
- 4-Methyl-6-nitro-2(1H)-quinolinethione
- IUPAC
- 4-methyl-6-nitro-1H-quinoline-2-thione
Names & synonyms
4-Methyl-6-nitro-2(1H)-quinolinethione52323-11-2RefChem:2944054-methyl-6-nitro-2-thioquinoloneDTXSID3012847114-Methyl-6-nitroquinoline-2(1H)-thione
Database identifiers
- CAS
52323-11-2- PubChem CID
- 129784666
- DTXSID
DTXSID301284711
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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