Benzothiazole,2-(ethylsulfonyl)-6-nitro- supplier

Name
2-(ethylsulphonyl)-6-nitrobenzothiazole
EINECS 242-813-5
CAS No. 19094-32-7
Density 1.543 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₄S₂
Boiling Point 462.9 °C at 760 mmHg
Molecular Weight 272.306
Flash Point 233.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Ethylsulphonyl)-6-nitrobenzothiazole;
PSA 129.47000
LogP 3.60210

Benzothiazole,2-(ethylsulfonyl)-6-nitro- Specification

The Benzothiazole,2-(ethylsulfonyl)-6-nitro-, with the CAS registry number 19094-32-7, is also known as 2-(Ethylsulphonyl)-6-nitrobenzothiazole. Its EINECS registry number is 242-813-5. This chemical's molecular formula is C₉H₈N₂O₄S₂ and molecular weight is 272.30082. What's more, its systematic name and its IUPAC name are the same which is called 2-Ethylsulfonyl-6-nitro-1,3-benzothiazole.

Physical properties about Benzothiazole,2-(ethylsulfonyl)-6-nitro-: (1) ACD/LogP: 2.06; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.06; (4) ACD/LogD (pH 7.4): 2.06; (5) ACD/BCF (pH 5.5): 21.69; (6) ACD/BCF (pH 7.4): 21.69; (7) ACD/KOC (pH 5.5): 314.89; (8) ACD/KOC (pH 7.4): 314.89; (9) #H bond acceptors: 6; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 129.47 Å²; (13) Index of Refraction: 1.65; (14) Molar Refractivity: 64.35 cm³; (15) Molar Volume: 176.3 cm³; (16) Surface Tension: 67.6 dyne/cm; (17) Density: 1.543 g/cm³; (18) Flash Point: 233.8 °C; (19) Enthalpy of Vaporization: 69.63 kJ/mol; (20) Boiling Point: 462.9 °C at 760 mmHg; (21) Vapour Pressure: 2.62E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2nc(sc2c1)S(=O)(=O)CC
(2) InChI: InChI=1/C9H8N2O4S2/c1-2-17(14,15)9-10-7-4-3-6(11(12)13)5-8(7)16-9/h3-5H,2H2,1H3
(3) InChIKey: HEWSLJHLRNJJKR-UHFFFAOYAD

Product Name

2-(ethylsulphonyl)-6-nitrobenzothiazole

Benzothiazole,2-(ethylsulfonyl)-6-nitro- Specification

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