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Name |
2-Aminothiazoline-4-carboxylicacid |
EINECS | 218-433-0 |
CAS No. | 2150-55-2 | Density | 1.85 g/cm3 |
PSA | 100.98000 | LogP | -0.36300 |
Solubility | slightly soluble in water | Melting Point |
428.0oC (Decomposes) |
Formula | C4H6N2O2S | Boiling Point | 405.9 °C at 760 mmHg |
Molecular Weight | 146.17 | Flash Point | 199.3 °C |
Transport Information | N/A | Appearance | white powder |
Safety | 36/37 | Risk Codes | 22-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Thiazoline-4-carboxylicacid, 2-amino- (6CI,7CI,8CI);2-Aminothiazoline-4-carboxylic acid;2-Iminothiazolidine-4-carboxylic acid;DL-2-Amino-2-thiazolin-4-carboxylicacid;DL-2-Amino-D2-thiazoline-4-carboxylicacid;DL-2-Aminothiazoline-4-carboxylic acid;NSC 25069; |
Article Data | 8 |
The 4-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-, with CAS registry number 2150-55-2, has the systematic name of 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid. It's white powder which is slightly soluble in water. And it should be stored at the temperature of 0-5°C. Moreover, the classification code of this chemical is Drug / Therapeutic Agent.
Physical properties about 4-Thiazolecarboxylicacid, 2-amino-4,5-dihydro- are: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.97; (4)ACD/LogD (pH 7.4): -4.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.2 Å2; (13)Index of Refraction: 1.776; (14)Molar Refractivity: 32.9 cm3; (15)Molar Volume: 78.7 cm3; (16)Polarizability: 13.04×10-24cm3; (17)Surface Tension: 88.8 dyne/cm; (18)Density: 1.85 g/cm3; (19)Flash Point: 199.3 °C; (20)Enthalpy of Vaporization: 72.15 kJ/mol; (21)Boiling Point: 405.9 °C at 760 mmHg; (22)Vapour Pressure: 1E-07 mmHg at 25°C.
Uses of the 4-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-: It could be used to produce the L-cysteine and N-carbamoyl-L-cysteine. This reaction needs the reagents of pseudomonas so. ON-4a, glucose, yeast, extract, peptone, NaCl, K2HPO4, MgSO4*7H2O, FeSO4*7H2O, MnSO4*4H2O and the solvent of H2O. The yield is 33 %. In addition, this reaction should be taken for 1 days at the temperature of 30 °C. The other condition is effect of EDTA.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1/N=C(\SC1)N
(2)InChI: InChI=1/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)
(3)InChIKey: VHPXSBIFWDAFMB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)
(5)Std. InChIKey: VHPXSBIFWDAFMB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Radiation Research. Vol. 7, Pg. 22, 1957. |