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| CAS No.: | 409110-07-2 |
|---|---|
| Name: | THIAZOLE-5-CARBOTHIOIC ACID AMIDE |
| Molecular Structure: | |
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| Formula: | C4H4N2S2 |
| Molecular Weight: | 144.221 |
| Synonyms: | 1,3-Thiazole-4-thiocarboxamide;Thiazole-4-carbothioamide; |
| Density: | 1.461 g/cm3 |
| Boiling Point: | 295.3 °C at 760 mmHg |
| Flash Point: | 132.4 °C |
| PSA: | 99.24000 |
| LogP: | 1.47760 |
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Specification
The 4-Thiazolecarbothioamide, with the CAS registry number 409110-07-2, is also known as 1,3-Thiazole-4-thiocarboxamide. It belongs to the product categories of Building Blocks; Thiazole. This chemical's molecular formula is C4H4N2S2 and molecular weight is 144.22. What's more, its systematic name is Thiazole-4-carbothioamide.
Physical properties of 4-Thiazolecarbothioamide are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 99.24 Å2; (6)Index of Refraction: 1.718; (7)Molar Refractivity: 38.91 cm3; (8)Molar Volume: 98.7 cm3; (9)Polarizability: 15.42×10-24 cm3; (10)Surface Tension: 85.8 dyne/cm; (11)Density: 1.461 g/cm3; (12)Flash Point: 132.4 °C; (13)Enthalpy of Vaporization: 53.5 kJ/mol; (14)Boiling Point: 295.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00154 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncs1)C(=S)N
(2)InChI: InChI=1/C4H4N2S2/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
(3)InChIKey: SOQQSPURSLWWMI-UHFFFAOYAO