6,7-Dimethoxy-3,3-dimethyl-1-methylsulfanyl-3,4-dihydro-isoquinoline

Base Information

• Chemical Name: 6,7-Dimethoxy-3,3-dimethyl-1-methylsulfanyl-3,4-dihydro-isoquinoline
• CAS No.: 163557-53-7
• Molecular Formula: C₁₄H₁₉NO₂S
• Molecular Weight: 265.376
• DSSTox Substance ID: DTXSID50385935
• Nikkaji Number: J1.130.740J
• Wikidata: Q82179018
• ChEMBL ID: CHEMBL1328520
• Mol file: 163557-53-7.mol

Synonyms:163557-53-7;6,7-Dimethoxy-3,3-dimethyl-1-methylsulfanyl-3,4-dihydro-isoquinoline;SMR000116305;MLS000525831;6,7-dimethoxy-3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline;6,7-Dimethoxy-3,3-dimethyl-1-(methylthio)-3,4-dihydroisoquinoline;ST51002277;CBMicro_022250;Cambridge id 5487132;Oprea1_140099;Oprea1_835898;CHEMBL1328520;BDBM79524;cid_2848959;DTXSID50385935;RPSUUNBXYWODIB-UHFFFAOYSA-N;HMS1611K16;HMS2503D08;CCG-9383;AKOS001486919;BIM-0022221.P001;EU-0074174;AB00086834-01;SR-01000456342;SR-01000456342-1;6,7-dimethoxy-3,3-dimethyl-1-(methylthio)-4H-isoquinoline;1-methyl-thio-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline

Chemical Property of 6,7-Dimethoxy-3,3-dimethyl-1-methylsulfanyl-3,4-dihydro-isoquinoline

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.11365002
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=CC(=C(C=C2C(=N1)SC)OC)OC)C