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5-Methoxymethyl-1,3,4-thiadiazole-2-thiol

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Name

5-Methoxymethyl-1,3,4-thiadiazole-2-thiol

EINECS N/A
CAS No. 66437-18-1 Density 1.52 g/cm3
PSA 102.05000 LogP 0.97320
Solubility N/A Melting Point 77 °C
Formula C4H6N2OS2 Boiling Point 215.5 °C at 760 mmHg
Molecular Weight 162.236 Flash Point 84.1 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 66437-18-1 (5-Methoxymethyl-1,3,4-thiadiazole-2-thiol) Hazard Symbols N/A
Synonyms

1,3,4-Thiadiazole-2(3H)-thione, 5-(methoxymethyl)-;1, 3, 4-Thiadiazole-2-thiol, 5-(methoxymethyl)-;

Article Data 2

5-Methoxymethyl-1,3,4-thiadiazole-2-thiol Specification

The 5-Methoxymethyl-1, 3, 4-thiadiazole-2-thiol, with the CAS registry number 66437-18-1, is also known as 1, 3, 4-Thiadiazole-2-thiol, 5-(methoxymethyl)-. This chemical's molecular formula is C4H6N2OS2 and molecular weight is 162.23. What's more, its IUPAC name is 5-(Methoxymethyl)-3H-1, 3, 4-thiadiazole-2-thione.

Physical properties about 5-Methoxymethyl-1, 3, 4-thiadiazole-2-thiol are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -1.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 82.22 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 40.87 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 16.2×10-24 cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 84.1 °C; (20)Enthalpy of Vaporization: 45.18 kJ/mol; (21)Boiling Point: 215.5 °C at 760 mmHg; (22)Vapour Pressure: 0.148 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1S\C(=N/N1)COC
(2) InChI: InChI=1/C4H6N2OS2/c1-7-2-3-5-6-4(8)9-3/h2H2,1H3,(H,6,8)
(3) InChIKey: SKGOKGMZDMGZAM-UHFFFAOYAG

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