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Name |
4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)- |
EINECS | N/A |
CAS No. | 34500-31-7 | Density | 1.81 g/cm3 |
PSA | 136.32000 | LogP | 1.38410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H8N2O3S2 | Boiling Point | 587.6 °C at 760 mmHg |
Molecular Weight | 280.328 | Flash Point | 309.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Thiazoline-4-carboxylicacid, 2-(6-hydroxy-2-benzothiazolyl)-, (+)- (8CI);4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (R)-;L-Luciferin;L-Luciferin (firefly);(+)-Luciferin; |
Article Data | 5 |
This chemical is called 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)-, and its systematic name is (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid. With the molecular formula of C11H8N2O3S2, its molecular weight is 280.32. The CAS registry number of this chemical is 34500-31-7.
Other characteristics of the 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)- can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 136.32 Å2; (11)Index of Refraction: 1.864; (12)Molar Refractivity: 69.87 cm3; (13)Molar Volume: 154.4 cm3; (14)Polarizability: 27.7×10-24cm3; (15)Surface Tension: 85.8 dyne/cm; (16)Density: 1.81 g/cm3; (17)Flash Point: 309.2 °C; (18)Enthalpy of Vaporization: 92.27 kJ/mol; (19)Boiling Point: 587.6 °C at 760 mmHg; (20)Vapour Pressure: 1.19E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H]1/N=C(\SC1)c2sc3cc(O)ccc3n2
2.InChI: InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1
3.InChIKey: BJGNCJDXODQBOB-ZETCQYMHBM