Basic information
- CAS
222021-59-2- Standard SMILES
CN(C)Cc1ccccc1Sc1ccc(I)cc1CO- InChIKey
WDZSPNFWRVITEJ-UHFFFAOYSA-N- Molecular formula
- C16H18INOS
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 399.01538
Overview
[2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol is an aryl sulfide.
Names & identifiers
- Preferred name
- [2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol
- IUPAC
- [2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-iodophenyl]methanol
Names & synonyms
CHEMBL114275222021-59-2[2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol[2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-iodophenyl]methanolSCHEMBL1645258DTXSID20432081CHEBI:125632[2-({2-[(dimethylamino)methyl]phenyl}sulfanyl)-5-iodophenyl]methanolBDBM50073436BRD-K76630978-001-01-4Q27216243(2-(2-((dimethylamino)methyl)phenylthio)-5-iodophenyl)methanol
Show more names
[2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-iodo-phenyl]-methanol5-iodo-2-((2-((dimeth-ylamino)methyl)phenyl)thio)benzyl alcohol
Database identifiers
- CAS
222021-59-2- PubChem CID
- 9865652
- DTXSID
DTXSID20432081- ChEMBL
CHEMBL114275- ChEBI
CHEBI:125632- Nikkaji
- J1.078.793I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
LogP2.67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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