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| CAS No.: | 64987-06-0 |
|---|---|
| Name: | (2-Formamido-1,3-thiazol-4-yl)glyoxylic acid |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H4N2O4S |
| Molecular Weight: | 200.175 |
| Synonyms: | 2-(2-Formamido-4-thiazolyl)glyoxylicacid;2-(Formylamino)-a-oxo-4-thiazoleacetic acid;SQ 27710; |
| EINECS: | 613-733-1 |
| Density: | 1.739 g/cm3 |
| Boiling Point: | 406.6 ºC at 760 mmHg |
| Flash Point: | 199.7 ºC |
| PSA: | 124.60000 |
| LogP: | 0.68760 |
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Specification
The (2-Formamido-1,3-thiazol-4-yl)glyoxylic acid, with the CAS registry number 64987-06-0, belongs to the product categories of organic acids.
The characteristics of this chemical are as follows: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 124.6; (10)Index of Refraction: 1.692; (11)Molar Refractivity: 44.11 cm3; (12)Molar Volume: 115 cm3; (13)Polarizability: 17.48×10-24 cm3; (14)Surface Tension: 95 dyne/cm; (15)Density: 1.739 g/cm3; (16)Flash Point: 199.7 °C; (17)Enthalpy of Vaporization: 69.42 kJ/mol; (18)Boiling Point: 406.6 °C at 760 mmHg; (19)Vapour Pressure: 2.43E-07 mmHg at 25°C.
Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:O=CNc1nc(cs1)C(=O)C(O)=O
(2)InChI:InChI=1/C6H4N2O4S/c9-2-7-6-8-3(1-13-6)4(10)5(11)12/h1-2H,(H,11,12)(H,7,8,9)
(3)InChIKey:JPJMIBGVCGNFQD-UHFFFAOYAP