Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-(methylthio)-, hydrochloride
Basic information
- CAS
131961-52-9- Standard SMILES
CSc1ccc(C(O)COCCN(C)C)cc1.Cl- InChIKey
IYXDNGRRMVMRGH-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO2S
- Average molar mass
- 291.84 g/mol
- Monoisotopic mass
- 291.1059778
Names & identifiers
- Preferred name
- Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-(methylthio)-, hydrochloride
- IUPAC
- 2-[2-(dimethylamino)ethoxy]-1-(4-methylsulfanylphenyl)ethanol;hydrochloride
- English name
- alpha-((2-(Dimethylamino)ethoxy)methyl)-4-(methylthio)benzenemethanol hydrochloride
- Molecular weight
- 0
Names & synonyms
131961-52-9alpha-((2-(Dimethylamino)ethoxy)methyl)-4-(methylthio)benzenemethanol hydrochlorideBenzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-(methylthio)-, hydrochlorideRefChem:325010DTXSID209274422-[2-(Dimethylamino)ethoxy]-1-[4-(methylsulfanyl)phenyl]ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
131961-52-9- PubChem CID
- 3076587
- DTXSID
DTXSID20927442
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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