Basic Information | Post buying leads | Suppliers |
Name |
3-(2-Thiazolyl)propionic acid |
EINECS | N/A |
CAS No. | 144163-65-5 | Density | 1.354 g/cm3 |
PSA | 78.43000 | LogP | 1.16030 |
Solubility | N/A | Melting Point |
126-127 °C |
Formula | C6H7NO2S | Boiling Point | 310.049 °C at 760 mmHg |
Molecular Weight | 157.193 | Flash Point | 141.313 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(1,3-Thiazol-2-yl)propanoicacid; |
This chemical is called 2-Thiazolepropanoic acid, and its systematic name is 3-(1,3-thiazol-2-yl)propanoic acid. With the molecular formula of C6H7NO2S, its molecular weight is 157.19. The CAS registry number of this chemical is 144163-65-5.
Other characteristics of the 2-Thiazolepropanoic acid can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 38.47 cm3; (15)Molar Volume: 116 cm3; (16)Polarizability: 15.25×10-24cm3; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 141.3 °C; (20)Enthalpy of Vaporization: 58.16 kJ/mol; (21)Boiling Point: 310 °C at 760 mmHg; (22)Vapour Pressure: 0.000265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCc1nccs1
2.InChI: InChI=1/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
3.InChIKey: OJTQVDTVCPIZQH-UHFFFAOYAM