Basic information
- CAS
28102-96-7- Standard SMILES
COc1ccc2[nH]c(C)cc(=S)c2c1- InChIKey
SKSLXGCSDLWDEO-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 4-Quinolinethiol, 6-methoxy-2-methyl-
- IUPAC
- 6-methoxy-2-methyl-1H-quinoline-4-thione
Names & synonyms
28102-96-74-Quinolinethiol, 6-methoxy-2-methyl-6-Methoxy-2-methyl-4-quinolinethiolBRN 01382466-Methoxy-4-mercapto-2-methylquinoline6-Metossi-4-tio-2-metilchinolina6-Metossi-4-tio-2-metilchinolina [Italian]DTXSID301823834-21-00-02251 (Beilstein Handbook Reference)RefChem:296304DTXCID401048746-methoxy-2-methylquinoline-4-thiol
Show more names
6-methoxy-2-methylquinoline-4(1H)-thione6-methoxy-2-methyl-1H-quinoline-4-thione6-Methoxy-2-methyl-quinoline-4-thiol2-methyl-4-mercapto-6-methoxyquinolineChemDiv3_000173SCHEMBL31284608HMS1473H19MFCD00681333
Database identifiers
- CAS
28102-96-7- PubChem CID
- 762811
- DTXSID
DTXSID30182383
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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