2-[(4R)-2-(Benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate supplier

Name
[2-(BENZOTHIAZOL-2-YLAMINO)-5-OXO-4,5-DIHYDRO-3 H-IMIDAZOL-4-YL]-ACETIC ACID
EINECS
CAS No. 436811-21-1
Density 1.75±0.1 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₂H₉N₄O₃S
Boiling Point 531.5±42.0 °C(Predicted)
Molecular Weight 289.2904
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(4S)-2-(benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate;
PSA 131.92000
LogP 0.87470

2-[(4R)-2-(Benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate Specification

The 2-[(4R)-2-(Benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate, with the CAS registry number 436811-21-1, has the molecular formula C₁₂H₉N₄O₃S. Besides, its molecular weight is 289.2904. Its systematic name is called [(4R)-2-(1,3-benzothiazol-2-ylamino)-5-oxo-4,5-dihydro-1H-imidazol-4-yl]acetate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-[(4R)-2-(Benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 114.34 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C[C@H]1/N=C(\NC1=O)Nc2nc3ccccc3s2
(2)InChI: InChI=1/C12H10N4O3S/c17-9(18)5-7-10(19)15-11(13-7)16-12-14-6-3-1-2-4-8(6)20-12/h1-4,7H,5H2,(H,17,18)(H2,13,14,15,16,19)/p-1/t7-/m1/s1
(3)InChIKey: OOKBFPXIGJABNN-BRXZMLOABP

Product Name

[2-(BENZOTHIAZOL-2-YLAMINO)-5-OXO-4,5-DIHYDRO-3 H-IMIDAZOL-4-YL]-ACETIC ACID

2-[(4R)-2-(Benzothiazol-2-ylamino)-5-oxo-1,4-dihydroimidazol-4-yl]acetate Specification

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