CAS No.135-58-0,mesulfen Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135-58-0
Name:	mesulfen
Article Data:	16

Formula:	C₁₄H₁₂S₂
Molecular Weight:	244.381
Synonyms:	2,7-Dimethylthianthrene;Cutilen;Cutosolo;Mesulfen;Mesulphen;Mitabol;Mitigal;Neosulfine;Odylen;Peligal;Scabol;Sudermo;Thianthol;Thianthrol;
EINECS:	205-202-4
Density:	1.237 g/cm³
Melting Point:	123oC
Boiling Point:	382.092 °C at 760 mmHg
Flash Point:	191.269 °C
Hazard Symbols:	Xi,N,O
Risk Codes:	R36/37/38; R51/53
PSA:	50.60000
LogP:	4.91920

Synthetic route

: 2943-42-2
di(4-methyl)phenylthiosulfonate

: 135-58-0
Mesulfen

Conditions

Conditions	Yield
With sulfuric acid

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

: 135-58-0
Mesulfen

Conditions

Conditions	Yield
With copper at 180℃;

: 6746-22-1
tetra(p-tolyl)tin

: 135-58-0
Mesulfen

Conditions

Conditions	Yield
With sulfur at 190℃;

: 106-45-6
para-thiocresol

: 135-58-0
Mesulfen

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid at 20℃;

: 108-88-3
toluene

: 135-58-0
Mesulfen

Conditions

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

: 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

Conditions	Yield
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

Conditions	Yield
With molybdenum(V) chloride In dichloromethane at 20℃; for 1.5h; Inert atmosphere;

...Expand

: 135-58-0
Mesulfen

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

Conditions

Conditions	Yield
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

Conditions	Yield
With chromium(VI) oxide; acetic acid

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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