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Name |
2H-1,4-Benzothiazin-3(4H)-one,6-amino- |
EINECS | N/A |
CAS No. | 21762-78-7 | Density | 1.38 g/cm3 |
PSA | 83.91000 | LogP | 1.97930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2OS | Boiling Point | 443.1 °C at 760 mmHg |
Molecular Weight | 180.23 | Flash Point | 221.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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