8-hydroxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
Basic information
- CAS
135692-40-9- Standard SMILES
CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S- InChIKey
AWGMTNPSUKZUHK-UHFFFAOYSA-N- Molecular formula
- C12H11NOS3
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.0002775
Names & identifiers
- Preferred name
- 8-hydroxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
- IUPAC
- 8-hydroxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
Names & synonyms
135692-40-9SMR000038969MLS0000379768-hydroxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione4,5-Dihydro-8-hydroxy-4,4-dimethyl-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione8-hydroxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thioneOprea1_147977Oprea1_203286cid_657946CHEMBL1362714BDBM60357DTXSID101141056
Show more names
HMS2285K11STK870738AKOS005610675NCGC00020848-01NCGC00020848-024,4-dimethyl-8-oxidanyl-5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Database identifiers
- CAS
135692-40-9- PubChem CID
- 657946
- DTXSID
DTXSID101141056- ChEMBL
CHEMBL1362714- Nikkaji
- J1.842.402I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…