2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-

Base Information

• Chemical Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-
• CAS No.: 119558-35-9
• Molecular Formula: C15H21ClF3NOS
• Molecular Weight: 355.8
• DSSTox Substance ID: DTXSID00152492

Synonyms:119558-35-9;2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-;DTXSID00152492;C15H20F3NOS.ClH.1/2H2O;LS-153321;C15-H20-F3-N-O-S.Cl-H.1/2H2-O

Chemical Property of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-

Chemical Property:

• Vapor Pressure: 2.73E-06mmHg at 25°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 355.0984476
• Heavy Atom Count: 22
• Complexity: 350

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC1CSCCC1(C2=CC(=CC=C2)C(F)(F)F)O.Cl
• Isomeric SMILES: CN(C)C[C@H]1CSCC[C@]1(C2=CC(=CC=C2)C(F)(F)F)O.Cl

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