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| CAS No.: | 4651-97-2 |
|---|---|
| Name: | 2-Amino-4-methylthiophene-3-carboxamide |
| Molecular Structure: | |
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|
|
| Formula: | C6H8N2OS |
| Molecular Weight: | 156.208 |
| Synonyms: | 2-Amino-4-methyl-thiophene-3-carboxamide;2-Amino-4-methyl-3-thiophene carboxamide; |
| Density: | 1.344 g/cm3 |
| Melting Point: | 172 °C |
| Boiling Point: | 277.1 °C at 760 mmHg |
| Flash Point: | 121.4 °C |
| Appearance: | solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 97.35000 |
| LogP: | 2.01910 |
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Specification
This chemical is called 2-Amino-4-methylthiophene-3-carboxamide, and its CAS registry number is 4651-97-2. With the molecular formula of C6H8N2OS, its molecular weight is 156.21. Additionally, this chemical is solid. It should be sealed in dry place, away from light.
Other characteristics of the 2-Amino-4-methylthiophene-3-carboxamide can be summarised as followings: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.26; (8)ACD/KOC (pH 7.4): 55.27; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.62 cm3; (15)Molar Volume: 116.1 cm3; (16)Polarizability: 16.89×10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.344 g/cm3; (19)Flash Point: 121.4 °C; (20)Enthalpy of Vaporization: 51.56 kJ/mol; (21)Boiling Point: 277.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00462 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1c(scc1C)N)N
2.InChI: InChI=1/C6H8N2OS/c1-3-2-10-6(8)4(3)5(7)9/h2H,8H2,1H3,(H2,7,9)
3.InChIKey: AXLIJQRGPVJGSO-UHFFFAOYAC