4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)- supplier

Name
4-THIAZOLEACETIC ACID, 2-AMINO-ALPHA-(HYDROXYIMINO)
EINECS
CAS No. 120570-48-1
Article Data2
CAS DataBase
Density 1.92 g/cm³
Solubility
Melting Point
Formula C₅H₅N₃O₃S
Boiling Point 539.4 °C at 760 mmHg
Molecular Weight 187.18
Flash Point 280 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-amino-1,3-thiazolyl-4-yl)-2-hydroxyiminoacetic acid;2-Athiaa;
PSA 137.04000
LogP 0.56940

4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)- Specification

The CAS register number of 4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)- is 120570-48-1. It also can be called as 2-Athiaa and the IUPAC name about this chemical is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid. The molecular formula about this chemical is C₅H₅N₃O₃S and the molecular weight is 187.18.

Physical properties about 4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)- are: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -3.85; (3)ACD/LogD (pH 7.4): -4.42; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 92.26 Å²; (12)Index of Refraction: 1.798; (13)Molar Refractivity: 41.42 cm³; (14)Molar Volume: 97 cm³; (15)Polarizability: 16.42x10^-24cm³; (16)Surface Tension: 98.5 dyne/cm; (17)Density: 1.92 g/cm³; (18)Flash Point: 280 °C; (19)Enthalpy of Vaporization: 85.97 kJ/mol; (20)Boiling Point: 539.4 °C at 760 mmHg; (21)Vapour Pressure: 1.82E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=N\O)/c1nc(sc1)N
(2)InChI: InChI=1/C5H5N3O3S/c6-5-7-2(1-12-5)3(8-11)4(9)10/h1,11H,(H2,6,7)(H,9,10)/b8-3-
(3)InChIKey: URGSBEYHHRKMJL-BAQGIRSFBQ
(4)Std. InChI: InChI=1S/C5H5N3O3S/c6-5-7-2(1-12-5)3(8-11)4(9)10/h1,11H,(H2,6,7)(H,9,10)/b8-3-
(5)Std. InChIKey: URGSBEYHHRKMJL-BAQGIRSFSA-N

Product Name

4-THIAZOLEACETIC ACID, 2-AMINO-ALPHA-(HYDROXYIMINO)

4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)- Specification

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