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Name |
2,3-Quinoxalinedithione,1,4-dihydro-6-methyl- |
EINECS | N/A |
CAS No. | 25625-62-1 | Density | 1.42 g/cm3 |
PSA | 103.38000 | LogP | 2.51560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8N2S2 | Boiling Point | 343.8 °C at 760 mmHg |
Molecular Weight | 208.308 | Flash Point | 161.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Quinoxalinedithiol,6-methyl- (6CI,8CI);6-Methyl-2,3-quinoxalinedithiol;SAS 2061; |
Article Data | 2 |
The 2,3-Quinoxalinedithione,1,4-dihydro-6-methyl-, also known as 6-Methyl-2,3-quinoxalinedithiol, is an organic compound with the formula C9H8N2S2. With the CAS registry number 25625-62-1, its IUPAC name is 6-methyl-1,4-dihydroquinoxaline-2,3-dithione.
Physical properties of 2,3-Quinoxalinedithione,1,4-dihydro-6-methyl-: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 29.61; (5)ACD/BCF (pH 7.4): 25.82; (6)ACD/KOC (pH 5.5): 393.21; (7)ACD/KOC (pH 7.4): 342.84; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Index of Refraction: 1.762; (11)Molar Refractivity: 60.11 cm3; (12)Molar Volume: 145.7 cm3; (13)Surface Tension: 83.3 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 161.8 °C; (16)Enthalpy of Vaporization: 58.77 kJ/mol; (17)Boiling Point: 343.8 °C at 760 mmHg; (18)Vapour Pressure: 6.85E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)NC(=S)C(=S)N2
(2)InChI: InChI=1S/C9H8N2S2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
(3)InChIKey: YTKGLURLTLIZJG-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 249mg/kg (249mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 173, Pg. 60, 1970. | |
rat | LD50 | intraperitoneal | 38mg/kg (38mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Pharmacology and Experimental Therapeutics. Vol. 173, Pg. 60, 1970. |