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| CAS No.: | 163008-86-4 |
|---|---|
| Name: | 4-METHYL-1,2,3-THIADIAZOLE-5-METHANOL |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C4H6N2OS |
| Molecular Weight: | 130.17 |
| Synonyms: | 4-METHYL-1,2,3-THIADIAZOLE-5-METHANOL;(4-Methyl-1,2,3-thiadiazol-5-yl)methanol;5-(Hydroxymethyl)-4-methyl-1,2,3-thiadiazole;(4-methyl-1,2,3-thiadiazol-5-yl)methanol(SALTDATA: FREE) |
| Density: | 1.364 g/cm3 |
| Boiling Point: | 261.481 °C at 760 mmHg |
| Flash Point: | 111.94 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 74.25000 |
| LogP: | 0.33880 |
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Specification
The 1,2,3-Thiadiazole-5-methanol,4-methyl- is an organic compound with the formula C4H6N2OS. The IUPAC name of this chemical is (4-Methylthiadiazol-5-yl)methanol. With the CAS registry number 163008-86-4, it is also named as 4-Methyl-1,2,3-thiadiazole-5-methanol. The product's categories are Hydroxymethyl's; Oxadiazoles and Thiadiazoles. Besides, it should be stored in a cool, sealed, dry, well-ventilated place.
Physical properties about 1,2,3-Thiadiazole-5-methanol,4-methyl- are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.336; (3)ACD/LogD (pH 7.4): 0.336; (4)ACD/BCF (pH 5.5): 1.061; (5)ACD/BCF (pH 7.4): 1.061; (6)ACD/KOC (pH 5.5): 36.299; (7)ACD/KOC (pH 7.4): 36.299; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.25 Å2; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 32.096 cm3; (14)Molar Volume: 95.452 cm3; (15)Polarizability: 12.724×10-24 cm3; (16)Surface Tension: 63.939 dyne/cm; (17)Density: 1.364 g/cm3; (18)Flash Point: 111.94 °C; (19)Enthalpy of Vaporization: 52.742 kJ/mol; (20)Boiling Point: 261.481 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3
(2)InChIKey: MQLRVKHKJCRSBO-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3
(4)Std. InChIKey: MQLRVKHKJCRSBO-UHFFFAOYSA-N