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| CAS No.: | 378230-81-0 |
|---|---|
| Name: | 2,2,4,6,7-PENTAMETHYLDIHYDROBENZOFURAN-5-SULFONAMIDE |
| Molecular Structure: | |
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| Formula: | C13H19NO3S |
| Molecular Weight: | 269.36 |
| Synonyms: | 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide;2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonamide; |
| Density: | 1.193 g/cm3 |
| Boiling Point: | 433.957 °C at 760 mmHg |
| Flash Point: | 216.25 °C |
| PSA: | 77.77000 |
| LogP: | 3.75380 |
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Specification
The 5-Benzofuransulfonamide,2,3-dihydro-2,2,4,6,7-pentamethyl-, with the CAS registry number 378230-81-0, is also known as 2,2,4,6,7-Pentamethyldihydrobenzofuran-5-Sulfonamide. This chemical's molecular formula is C13H19NO3S and molecular weight is 269.36. What's more, its systematic name is 2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
Physical properties of 5-Benzofuransulfonamide,2,3-dihydro-2,2,4,6,7-pentamethyl- are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 92; (6)ACD/BCF (pH 7.4): 92; (7)ACD/KOC (pH 5.5): 889; (8)ACD/KOC (pH 7.4): 888; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 77.77 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 71.277 cm3; (15)Molar Volume: 225.756 cm3; (16)Polarizability: 28.256×10-24 cm3; (17)Surface Tension: 41.114 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 216.25 °C; (20)Enthalpy of Vaporization: 69 kJ/mol; (21)Boiling Point: 433.957 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=S(=O)(c2c(c1c(OC(C1)(C)C)c(c2C)C)C)N
(2)InChI: InChI=1/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16)
(3)InChIKey: GFKBZBDWCHNYFR-UHFFFAOYAQ