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Mesulfen

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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 Molecular Structure of 135-58-0 (mesulfen) 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

Mesulfen Synthetic route

2943-42-2

di(4-methyl)phenylthiosulfonate

135-58-0

Mesulfen

Conditions
ConditionsYield
With sulfuric acid

bis-(2-iodo-5-methyl-phenyl)-disulfide

135-58-0

Mesulfen

Conditions
ConditionsYield
With copper at 180℃;
6746-22-1

tetra(p-tolyl)tin

135-58-0

Mesulfen

Conditions
ConditionsYield
With sulfur at 190℃;
106-45-6

para-thiocresol

135-58-0

Mesulfen

Conditions
ConditionsYield
With sulfuric acid
With sulfuric acid at 20℃;
108-88-3

toluene

135-58-0

Mesulfen

Conditions
ConditionsYield
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
860413-72-5

4-methylphenyl 2-pyridyl disulfide

7664-93-9

sulfuric acid

135-58-0

Mesulfen

6-methyl-benzo-1.2.3-thiodiazole

6-methyl-benzo-1.2.3-thiodiazole

135-58-0

Mesulfen

Conditions
ConditionsYield
at 200 - 220℃;
20333-41-9

bis(3-methylphenyl)disulfide

A

135-58-0

Mesulfen

B

1207270-56-1

C14H12S2

C

1207270-57-2

1,8-dimethylthianthrene

Conditions
ConditionsYield
With molybdenum(V) chloride In dichloromethane at 20℃; for 1.5h; Inert atmosphere;
135-58-0

Mesulfen

2,7-dimethyl-thianthrene-5,5,10-trioxide

Conditions
ConditionsYield
With dihydrogen peroxide; acetic acid
135-58-0

Mesulfen

5,5,10,10-tetraoxo-5λ6,10λ6-thianthrene-2,7-dicarboxylic acid
96473-63-1

5,5,10,10-tetraoxo-5λ6,10λ6-thianthrene-2,7-dicarboxylic acid

Conditions
ConditionsYield
With chromium(VI) oxide; acetic acid

Mesulfen 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:
(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

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