3-Ethyl-6-methoxy-2-methylquinoline-4-thiol
Basic information
- CAS
332150-08-0- Standard SMILES
CCc1c(C)[nH]c2ccc(OC)cc2c1=S- InChIKey
GWRODOLHHOXXKP-UHFFFAOYSA-N- Molecular formula
- C13H15NOS
- Average molar mass
- 233.33 g/mol
- Monoisotopic mass
- 233.08743528
Names & identifiers
- Preferred name
- 3-Ethyl-6-methoxy-2-methylquinoline-4-thiol
- IUPAC
- 3-ethyl-6-methoxy-2-methyl-1H-quinoline-4-thione
- English name
- CHEMBRDG-BB 5687634
- Molecular formula
- C13H15NOS
- Molecular weight
- 233.33
Names & synonyms
3-ethyl-6-methoxy-2-methylquinoline-4-thiol332150-08-03-ethyl-6-methoxy-2-methyl-1H-quinoline-4-thioneMFCD01143093MLS000711906SMR0002816733-Ethyl-6-methoxy-2-methylquinoline-4(1H)-thioneHMS2629K16Oprea1_108713Oprea1_740957cid_790792CHEMBL1413735
Show more names
Reaxys ID: 20510957CHEMBRDG-BB 56876344-Quinolinethiol, 3-ethyl-6-methoxy-2-methyl-3-ethyl-6-methoxy-2-methylquinoline-4-thiol(SALTDATA: FREE)
BDBM50436DTXSID50355077AKOS000618695BS-36748DB-204640CS-0451168ST502390333-Ethyl-6-methoxy-2-methyl-4-quinolinethiol
Database identifiers
- CAS
332150-08-0- PubChem CID
- 790792
- DTXSID
DTXSID50355077- ChEMBL
CHEMBL1413735
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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