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66437-18-1

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Basic Information
CAS No.: 66437-18-1
Name: 5-Methoxymethyl-1,3,4-thiadiazole-2-thiol
Article Data: 2
Molecular Structure:
Molecular Structure of 66437-18-1 (5-Methoxymethyl-1,3,4-thiadiazole-2-thiol)
Formula: C4H6N2OS2
Molecular Weight: 162.236
Synonyms: 1,3,4-Thiadiazole-2(3H)-thione, 5-(methoxymethyl)-;1, 3, 4-Thiadiazole-2-thiol, 5-(methoxymethyl)-;
Density: 1.52 g/cm3
Melting Point: 77 °C
Boiling Point: 215.5 °C at 760 mmHg
Flash Point: 84.1 °C
Risk Codes: 20/21/22-36/37/38
Safety: 22-36/37/39
PSA: 102.05000
LogP: 0.97320
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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