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63589-17-3

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Basic Information
CAS No.: 63589-17-3
Name: 2-Benzothiazolamine, 6-methoxy-
Molecular Structure:
Molecular Structure of 63589-17-3 (2-Benzothiazolamine, 6-methoxy-)
Formula: C8H10N2O5S2
Molecular Weight: 278.31
Synonyms: 6-Methoxy-1,3-benzothiazol-2-amine sulfate (1:1);
Density: g/cm3
Boiling Point: 347.5 °C at 760 mmHg
Flash Point: 163.9 °C
PSA: 160.09000
LogP: 2.24520
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Specification

The 2-Benzothiazolamine, 6-methoxy-, sulfate (1:1) has the CAS registry number 63589-17-3. This chemical's molecular formula is C8H10N2O5S2 and molecular weight is 278.31. What's more, its systematic name is 6-methoxy-1,3-benzothiazol-2-amine sulfate (1:1).

Physical properties of 2-Benzothiazolamine, 6-methoxy-, sulfate (1:1) are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.07; (6)ACD/BCF (pH 7.4): 13.9; (7)ACD/KOC (pH 5.5): 215.26; (8)ACD/KOC (pH 7.4): 228.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.6 Å2; (13)Flash Point: 163.9 °C; (14)Enthalpy of Vaporization: 59.17 kJ/mol; (15)Boiling Point: 347.5 °C at 760 mmHg; (16)Vapour Pressure: 5.38E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.n1c2ccc(OC)cc2sc1N
(2)InChI: InChI=1S/C8H8N2OS.H2O4S/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;1-5(2,3)4/h2-4H,1H3,(H2,9,10);(H2,1,2,3,4)
(3)InChIKey: YSSBVGMCGVCLAY-UHFFFAOYSA-N