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| CAS No.: | 175136-67-1 |
|---|---|
| Name: | 4-METHYL-1,2,3-THIADIAZOLE-5-CARBOXAMIDE |
| Molecular Structure: | |
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|
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| Formula: | C4H5N3OS |
| Molecular Weight: | 143.169 |
| Synonyms: | BUTTPARK 75\08-05;4-METHYL-1,2,3-THIADIAZOLE-5-CARBOXAMIDE;1,2,3-Thiadiazole-5-carboxamide,4-methyl-(9CI);4-Methyl-1,2,3-thiadiazole-5-carboxamide ,97% |
| Density: | 1.426 g/cm3 |
| Boiling Point: | 306.3 °C at 760 mmHg |
| Flash Point: | 139.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 26-36 |
| PSA: | 97.11000 |
| LogP: | 0.64570 |
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Specification
This chemical is called 4-Methyl-1,2,3-thiadiazole-5-carboxamide, and its systematic name is 4-methyl-1,2,3-thiadiazole-5-carboxamide. With the molecular formula of C4H5N3OS, its molecular weight is 143.17. The CAS registry number of this chemical is 175136-67-1. Additionally, its product category is Amide.
Other characteristics of the 4-Methyl-1,2,3-thiadiazole-5-carboxamide can be summarised as followings: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.9; (8)ACD/KOC (pH 7.4): 17.9; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.33 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 34.57 cm3; (15)Molar Volume: 100.3 cm3; (16)Polarizability: 13.7 ×10-24cm3; (17)Surface Tension: 70.5 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 54.68 kJ/mol; (21)Boiling Point: 306.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000777 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)c1snnc1C
2.InChI: InChI=1/C4H5N3OS/c1-2-3(4(5)8)9-7-6-2/h1H3,(H2,5,8)
3.InChIKey: SJWSGYOCBFJBAX-UHFFFAOYAJ