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575485-66-4

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Basic Information
CAS No.: 575485-66-4
Name: 6-AMINO-2-METHYL-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
Molecular Structure:
Molecular Structure of 575485-66-4 (6-AMINO-2-METHYL-2H-1,4-BENZOTHIAZIN-3(4H)-ONE)
Formula: C9H10N2OS
Molecular Weight: 194.2535
Synonyms: 6-Amino-2-methyl-2H-1,4-benzothiazin-3(4H)-one;
Density: 1.29 g/cm3
Boiling Point: 429.5 °C at 760 mmHg
Flash Point: 213.5 °C
PSA: 80.42000
LogP: 2.42070
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Specification

The CAS register number of 2H-1,4-Benzothiazin-3(4H)-one,6-amino-2-methyl- is 575485-66-4. The systematic name about this chemical is 6-amino-2-methyl-2H-1,4-benzothiazin-3(4H)-one. The molecular formula about this chemical is C9H10N2OS and the molecular weight is 194.25.

Physical properties about 2H-1,4-Benzothiazin-3(4H)-one,6-amino-2-methyl- are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1.13; (5)ACD/BCF (pH 7.4): 1.15; (6)ACD/KOC (pH 5.5): 37.78; (7)ACD/KOC (pH 7.4): 38.45; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 48.85Å2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 54.4 cm3; (14)Molar Volume: 150.5 cm3; (15)Polarizability: 21.56x10-24cm3; (16)Surface Tension: 52 dyne/cm; (17)Enthalpy of Vaporization: 68.48 kJ/mol; (18)Boiling Point: 429.5 °C at 760 mmHg; (19)Vapour Pressure: 1.4E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc2c(SC1C)ccc(N)c2
(2)InChI: InChI=1/C9H10N2OS/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
(3)InChIKey: VMOAAHOOZGJEEB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H10N2OS/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: VMOAAHOOZGJEEB-UHFFFAOYSA-N