Basic information
- CAS
40448-83-7- Standard SMILES
CCSC(=O)N1c2ccc(C)cc2C=CC1C#N- InChIKey
MKFHKTKCKYGVJL-UHFFFAOYSA-N- Molecular formula
- C14H14N2OS
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.08268425
Names & identifiers
- Preferred name
- S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate
- IUPAC
- S-ethyl 2-cyano-6-methyl-2H-quinoline-1-carbothioate
Names & synonyms
40448-83-7NSC165895S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioateDTXSID90304488NSC-165895
Database identifiers
- CAS
40448-83-7- PubChem CID
- 296103
- DTXSID
DTXSID90304488
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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