2H-1,4-Benzothiazin-3(4H)-one,6-amino- supplier

Name
6-AMINO-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
EINECS
CAS No. 21762-78-7
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂OS
Boiling Point 443.1 °C at 760 mmHg
Molecular Weight 180.23
Flash Point 221.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-2H-benzo[b][1,4]thiazin-3(4H)-one;6-Amino-4-2H-benzo[1,4]thiazin-3(4H)-one;6-Amino-4H-benzo[1,4]thiazin-3-one;
PSA 83.91000
LogP 1.97930

2H-1,4-Benzothiazin-3(4H)-one,6-amino- Specification

The CAS register number of 2H-1,4-Benzothiazin-3(4H)-one,6-amino- is 21762-78-7. It also can be called as 6-Amino-2H-benzo[b][1,4]thiazin-3(4H)-one and the IUPAC name about this chemical is 6-amino-4H-1,4-benzothiazin-3-one. The molecular formula about this chemical is C₈H₈N₂OS and the molecular weight is 180.22432.

Physical properties about 2H-1,4-Benzothiazin-3(4H)-one,6-amino- are: (1)ACD/LogP: -0.11; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20.4; (5)ACD/KOC (pH 7.4): 20.76; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 48.85 Å²; (10)Index of Refraction: 1.686; (11)Molar Refractivity: 49.69 cm³; (12)Molar Volume: 130.5 cm³; (13)Polarizability: 19.69x10^-24cm³; (14)Surface Tension: 61.9 dyne/cm; (15)Density: 1.38 g/cm³; (16)Flash Point: 221.8 °C; (17)Enthalpy of Vaporization: 70.06 kJ/mol; (18)Boiling Point: 443.1 °C at 760 mmHg; (19)Vapour Pressure: 4.78E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc2c(SC1)ccc(N)c2
(2)InChI: InChI=1/C8H8N2OS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: OTAZYXUGSKFPHN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H8N2OS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
(5)Std. InChIKey: OTAZYXUGSKFPHN-UHFFFAOYSA-N

Product Name

6-AMINO-2H-1,4-BENZOTHIAZIN-3(4H)-ONE

2H-1,4-Benzothiazin-3(4H)-one,6-amino- Specification

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