CAS No.53051-97-1,5,6-DIHYDRO-4H-CYCLOPENTATHIAZOL-2-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53051-97-1
Name:	5,6-DIHYDRO-4H-CYCLOPENTATHIAZOL-2-YLAMINE
Article Data:	17

Formula:	C₆H₈N₂S
Molecular Weight:	140.209
Synonyms:	4H-Cyclopentathiazole,2-amino-5,6-dihydro- (6CI,7CI);NSC 328442;
Density:	1.354 g/cm³
Melting Point:	96-99°C
Boiling Point:	295.5 °C at 760 mmHg
Flash Point:	132.5 °C
PSA:	67.15000
LogP:	1.79520

Total:26 Page 1 of 1 1

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Specification

The 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine, with the CAS registry number 53051-97-1, has the systematic 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine. Its molecular formula is C₆H₈N₂S and its molecular weight is 140.21.

Other characteristics of the 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.14; (7)ACD/KOC (pH 5.5): 13.21; (8)ACD/KOC (pH 7.4): 136.91; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 39.13 cm³; (15)Molar Volume: 103.5 cm³; (16)Polarizability: 15.51×10^-24cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 53.52 kJ/mol; (21)Boiling Point: 295.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c2c(sc1N)CCC2
2.InChI: InChI=1/C6H8N2S/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2,(H2,7,8)
3.InChIKey: HUKBELGUWQLEFD-UHFFFAOYAB