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