Basic information
- CAS
1226-46-6- Standard SMILES
CN(C)c1ccc(C(=S)c2ccc(N(C)C)cc2)cc1- InChIKey
KFUJUTFTRXYQMG-UHFFFAOYSA-N- Molecular formula
- C17H20N2S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.13471982
Names & identifiers
- Preferred name
- 4,4'-Bis(dimethylamino)thiobenzophenone
- IUPAC
- bis[4-(dimethylamino)phenyl]methanethione
- English name
- 4,4'-Bis(dimethylamino)thiobenzophenone
- Molecular formula
- C17H20N2S
- Molecular weight
- 284.42
Names & synonyms
1226-46-64,4'-Bis(dimethylamino)thiobenzophenoneMichler's thioketoneMethanethione, bis[4-(dimethylamino)phenyl]-Thio-michler's ketonep,p'-Bis(dimethylamino)thiobenzophenoneBenzophenone, 4,4'-bis(dimethylamino)thio-P27X4MS4EVMethanethione, bis(4-(dimethylamino)phenyl)-NSC-30656DTXSID3061633RefChem:818816
Show more names
tmkC17H20N2SThio MichitoneMICHLER THIOKETONE4,4'-Bis(dimethylamiBis(4-(dimethylamino)Thio-Michler''s ketone
DTXCID3033771214-962-6Michler's thioneThiomichler's KetoneBis[4-(dimethylamino)phenyl]methanethioneBis(4-(dimethylamino)phenyl)methanethioneMFCD00040477Maybridge3_002856
Database identifiers
- CAS
1226-46-6- PubChem CID
- 71045
- DTXSID
DTXSID3061633- UNII
- P27X4MS4EV
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionViolet crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 202 · 202-206 °C(lit.)
- Boiling point
- 430 · 430.0±55.0 °C(Predicted)
- Density
- 1.23 g/cm3 · 1.230 g/cm3
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 3.05 · 3.05±0.24(Predicted)
- form
- powder to crystal
- color
- Red to Dark red to Dark purple
- InChI
- InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
- InChIKey
- KFUJUTFTRXYQMG-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMethanethione, bis4-(dimethylamino)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Benzophenone and Michler's ketone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29309070
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanethione, bis[4-(dimethylamino)phenyl]-: ACTIVE
Applications
UsesThiomichler's ketone (4,4'-Bis(dimethylamino)thiobenzophenone) can be used as a photometric reagent for the determination of gold, palladium, platinum, mercury, silver, and copper. Thiomichler's ketone is a kind of biological materials or organic compounds that are widely used in life science research[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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