(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole supplier

Name
(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole
EINECS 600-709-0
CAS No. 106006-84-2
Article Data9
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 187-188 °C
Formula C₁₀H₁₅N₃OS
Boiling Point 502.9 °C at 760 mmHg
Molecular Weight 225.315
Flash Point 257.9 °C
Transport Information
Appearance off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanamide,N-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-, (S)-;S-(-)-2-Amino-6-propionamido-4,5,6,7-tetrahydrobenzothiazole;
PSA 96.25000
LogP 2.08090

(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole Specification

The CAS registry number of Propanamide,N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]- is 106006-84-2. The IUPAC name is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide. In addition, the molecular formula is C₁₀H₁₅N₃OS and the molecular weight is 225.31. What's more, it belongs to the classes of Intermidiate of Pramipexole; Chemical Amines; Chiral Reagents; Heterocycles; Pramipexole Dihydrochloride Monohydrate. It is used for the preparation of anti-Parkinson's disease drug Primaquine.

Physical properties about Propanamide,N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]- are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 0.88; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 96.25 Å²; (8)Index of Refraction: 1.596; (9)Molar Refractivity: 60.41 cm³; (10)Molar Volume: 177.5 cm³; (11)Polarizability: 23.95 ×10^-24cm³; (12)Surface Tension: 59.2 dyne/cm; (13)Density: 1.26 g/cm³; (14)Flash Point: 257.9 °C; (15)Enthalpy of Vaporization: 77.2 kJ/mol; (16)Boiling Point: 502.9 °C at 760 mmHg; (17)Vapour Pressure: 3.06E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)N[C@H]1CCc2nc(N)sc2C1
(2)InChI: InChI=1/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
(3)InChIKey: VVPFOYOFGUBZRY-LURJTMIEBE

Product Name

(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole

(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole Specification

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