Cas no 123333-74-4 (2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride)

2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride structure
123333-74-4 structure
Product Name:2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride
CAS No:123333-74-4
MF:C25H22ClN3O3S
MW:479.97848367691
MDL:MFCD00012710
CID:223007
Update Time:2025-09-18

2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(Methoxyimino)-2-(2-(tritylamino)thiazol-4-yl)acetic acid hydrochloride
    • 2-(TRITYLAMINO)-α-(METHOXYIMINO)-4-THIAZOLEACETIC ACID HYDROCHLORIDE
    • 4-Thiazoleacetic acid, a-(methoxyimino)-2-[(triphenylmethyl)amino]-,hydrochloride (1:1)
    • 2-(2-TRITYLAMINOTHIAZOLE-4-YL)-2-METHOXYIMINOACETIC ACID HYDROCHLORIDE
    • 2-(TRITYLAMINO)-A-(METHOXYIMINO)-4-THIAZOLEACETIC ACID HYDROCHLORIDE
    • 2-(TRITYLAMINO)-ALPHA-(METHOXYIMINO)-4-THIAZOLEACETIC ACID HYDROCHLORIDE
    • 2-(tritylaminomethoxyimino)-4-thiazoleacetic acid HCl
    • 2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride
    • MDL: MFCD00012710
    • Inchi: InChI=1S/C25H21N3O3S.ClH/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17H,1H3,(H,26,27)(H,29,30);1H
    • InChI Key: WUGYSHABNSMIRY-UHFFFAOYSA-N
    • SMILES: Cl.CON=C(C1=CSC(NC(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=N1)C(=O)O

Computed Properties

  • Exact Mass: 479.10700
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 589
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: -1
  • Tautomer Count: 2
  • XLogP3: 6.9
  • Topological Polar Surface Area: 86.6

Experimental Properties

  • Color/Form: Odourless white powder
  • Density: 1.1730 (rough estimate)
  • Melting Point: 170 °C
  • Refractive Index: 1.6100 (estimate)
  • PSA: 112.05000
  • LogP: 5.85720
  • Solubility: Insoluble in water

2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26-37/39
  • Risk Phrases:R36/37/38

2-(Tritylamino)-a-(methoxyimino)-4-thiazoleacetic Acid Hydrochloride Pricemore >>

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