Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Mesulfen |
EINECS | 205-202-4 |
CAS No. | 135-58-0 | Density | 1.237 g/cm3 |
PSA | 50.60000 | LogP | 4.91920 |
Solubility | N/A | Melting Point |
123oC |
Formula | C14H12S2 | Boiling Point | 382.092 °C at 760 mmHg |
Molecular Weight | 244.381 | Flash Point | 191.269 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R36/37/38; R51/53 | |
Molecular Structure | Hazard Symbols | Xi,N,O | |
Synonyms |
2,7-Dimethylthianthrene;Cutilen;Cutosolo;Mesulfen;Mesulphen;Mitabol;Mitigal;Neosulfine;Odylen;Peligal;Scabol;Sudermo;Thianthol;Thianthrol; |
Article Data | 16 |
Conditions | Yield |
---|---|
With sulfuric acid |
Mesulfen
Conditions | Yield |
---|---|
With copper at 180℃; |
Conditions | Yield |
---|---|
With sulfur at 190℃; |
Conditions | Yield |
---|---|
With sulfuric acid | |
With sulfuric acid at 20℃; |
Conditions | Yield |
---|---|
With aluminium trichloride; sulfur dichloride at -15℃; dann auf etwa +40grad; | |
With disulfur dichloride; aluminium trichloride | |
With disulfur dichloride | |
With disulfur dichloride; aluminium amalgam | |
With disulfur dichloride; aluminium |
Mesulfen
Conditions | Yield |
---|---|
at 200 - 220℃; |
bis(3-methylphenyl)disulfide
A
Mesulfen
B
C14H12S2
C
1,8-dimethylthianthrene
Conditions | Yield |
---|---|
With molybdenum(V) chloride In dichloromethane at 20℃; for 1.5h; Inert atmosphere; |
Mesulfen
Conditions | Yield |
---|---|
With dihydrogen peroxide; acetic acid |
Mesulfen
5,5,10,10-tetraoxo-5λ6,10λ6-thianthrene-2,7-dicarboxylic acid
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
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:
(1)SMILES: S1c3c(Sc2c1ccc(c2)C)ccc(c3)C
(2)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
(3)InChIKey: AHXDSVSZEZHDLV-UHFFFAOYAN