Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6888120
91799-69-8 structure

T6888120

Iupac Name:N,N,3-trimethyl-4-(trichloromethylsulfanyl)aniline
CAS No.:91799-69-8
Molecular Weight:284.623
Molecular Formula:C20H16N4O3S (isomer)
Names and Identifiers
Synonyms

1-(5-chloro-2-methoxybenzoyl)-n-methoxypiperidine-4-carboxamide MCULE-6844250924 MOLPORT-009-539-622 Z368250496 ZINC46456649

Inchi
InChI=1S/C10H12Cl3NS/c1-7-6-8(14(2)3)4-5-9(7)15-10(11,12)13/h4-6H,1-3H3
InChkey
MMJQGZNLNZYVAR-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=C1)N(C)C)SC(Cl)(Cl)Cl
Properties
Refractive Index
1.595
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:284.623g/mol
  • Molecular Formula:C20H16N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:282.976
  • Monoisotopic Mass:282.976
  • Complexity:205
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<