4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)- supplier

Name
L-LUCIFERIN
EINECS
CAS No. 34500-31-7
Article Data5
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point
Formula C₁₁H₈N₂O₃S₂
Boiling Point 587.6 °C at 760 mmHg
Molecular Weight 280.328
Flash Point 309.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 136.32000
LogP 1.38410

4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)- Specification

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

Product Name

L-LUCIFERIN

4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)- Specification

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