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| CAS No.: | 106006-83-1 |
|---|---|
| Name: | 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H11N3S |
| Molecular Weight: | 169.25 |
| Synonyms: | 4,5,6,7-Tetrahydro-2,6-benzothiazole diamine |
| 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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- Total:30 Page 1 of 1 1
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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