CAS No.104617-49-4,2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104617-49-4
Name:	2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
Article Data:	22

Formula:	C₇H₁₁N₃S
Molecular Weight:	169.25
Synonyms:	(RS)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole;2,6-Diamino-4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine;2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole;4,5,6,7-tetrahydro-2,6-benzothiazole diamine;(S)-4,5,6,7-tetrahydro-2,6-benzothiazole diamine;
EINECS:	600-587-9
Density:	1.313 g/cm³
Boiling Point:	359 °C at 760 mmHg
Flash Point:	170.9 °C
Appearance:	off-white powder
PSA:	93.17000
LogP:	1.82280

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Specification

The CAS register number of 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole is 104617-49-4. It also can be called as 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro- and the IUPAC name about this chemical is 4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine. The molecular formula about this chemical is C₇H₁₁N₃S and the molecular weight is 169.24. It belongs to the Amines.

Physical properties about 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole are: (1)ACD/LogP: 0.26; (2)ACD/LogD (pH 5.5): -2.81; (3)ACD/LogD (pH 7.4): -1.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 47.61Å²; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 47.3 cm³; (14)Molar Volume: 128.8 cm³; (15)Polarizability: 18.75x10^-24cm³; (16)Surface Tension: 65.5 dyne/cm; (17)Enthalpy of Vaporization: 60.46 kJ/mol; (18)Boiling Point: 359 °C at 760 mmHg; (19)Vapour Pressure: 2.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(sc1N)CC(N)CC2
(2)InChI: InChI=1/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)
(3)InChIKey: DRRYZHHKWSHHFT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)
(5)Std. InChIKey: DRRYZHHKWSHHFT-UHFFFAOYSA-N