S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate
Basic information
- CAS
40448-85-9- Standard SMILES
CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N- InChIKey
RRBZCSKOQKCQJF-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate
- IUPAC
- S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate
Names & synonyms
40448-85-9S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioateNSC165897NSC 165897MLS0027030212-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOIC ACID, S-ETHYL ESTERS-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioateNCIMech_000243CHEMBL1706468SCHEMBL31237847SCHEMBL41977936NSC-165897
Show more names
NCI60_001281PD011203SMR0015668291(2H)Quinolinecarbothioic acid, S-ethyl ester1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester1(2H)Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester
Database identifiers
- CAS
40448-85-9- PubChem CID
- 296105
- ChEMBL
CHEMBL1706468
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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