| Identification | |
| Name: | Thianthrene,2,7-dimethyl- |
| Synonyms: | 2,7-Dimethylthianthrene;Cutilen;Cutosolo;Mesulfen;Mesulphen;Mitabol;Mitigal;Neosulfine;Odylen;Peligal;Scabol;Sudermo;Thianthol;Thianthrol; |
| CAS: | 135-58-0 |
| EINECS: | 205-202-4 |
| Molecular Formula: | C14H12S2 |
| Molecular Weight: | 244.37 |
| InChI: | InChI=1/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 123 |
| Density: | 1.236 g/cm3 |
| Refractive index: | 1.685 |
| Solubility: | 3.7 mg/L (25 C) |
| Specification: |
The Mesulfen with the CAS number 135-58-0 is also called Thianthrene,2,7-dimethyl-. Both the systematic name and IUPAC name are 2,7-dimethylthianthrene. Its molecular formula is C14H12S2. The EINECS registry number is 205-202-4. The product category is Pharmacetical. This chemical is used in therapy of scabies. The properties of the Mesulfen are: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8760.26; (6)ACD/BCF (pH 7.4): 8760.26; (7)ACD/KOC (pH 5.5): 23101.68; (8)ACD/KOC (pH 7.4): 23101.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 75.15 cm3; (15)Molar Volume: 197.5 cm3; (16)Polarizability: 29.79×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Enthalpy of Vaporization: 60.58 kJ/mol; (19)Vapour Pressure: 1.06×10-5 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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