4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine supplier

Name
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
EINECS
CAS No. 106006-83-1
Article Data14
CAS DataBase
Density 1.313 g/cm³
Solubility
Melting Point
Formula C₇H₁₁N₃S
Boiling Point 359 °C at 760 mmHg
Molecular Weight 169.25
Flash Point 170.9 °C
Transport Information
Appearance off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5,6,7-Tetrahydro-2,6-benzothiazole diamine
PSA 93.17000
LogP 1.82280

4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine Specification

This chemical is called 4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine, and it's also named as 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole. With the molecular formula of C₇H₁₁N₃S, its molecular weight is 169.24. The CAS registry number of this chemical is 106006-83-1.

Other characteristics of the 4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.81; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.61 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 47.3 cm³; (15)Molar Volume: 128.8 cm³; (16)Polarizability: 18.75×10^-24cm³; (17)Surface Tension: 65.5 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 170.9 °C; (20)Enthalpy of Vaporization: 60.46 kJ/mol; (21)Boiling Point: 359 °C at 760 mmHg; (22)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

Product Name

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine Specification

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