Products Categories
| CAS No.: | 45534-08-5 |
|---|---|
| Name: | 3-AMINO-5-METHYLTHIO-1H-1,2,4-TRIAZOLE |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H6N4S |
| Molecular Weight: | 130.173 |
| Synonyms: | s-Triazole,3-amino-5-(methylthio)- (7CI);3-Amino-5-(methylthio)-1,2,4-triazole;3-Amino-5-methylsulfanyl[1,2,4]triazole;3-Methylthio-5-amino-1,2,4-triazole;NSC 178858;[5-(Methylsulfenyl)-1H-[1,2,4]triazol-3-yl]amine; |
| EINECS: | 256-242-4 |
| Density: | 1.46 g/cm3 |
| Melting Point: | 130-133 °C(lit.) |
| Boiling Point: | 393.7 °C at 760 mmHg |
| Flash Point: | 191.9 °C |
| Solubility: | very faint turbidity |
| Appearance: | white to light beige crystalline powder |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 40-11 |
| Safety: | 36/37-16 |
| Transport Information: | 2811 |
| PSA: | 92.89000 |
| LogP: | 0.69000 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- Total:33 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called 1H-1,2,4-Triazol-3-amine, 5-(methylthio)-, and its CAS registry number is 45534-08-5. It should be sealed in the cool and dry plcace, and its product categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazoles.
Other characteristics of the 1H-1,2,4-Triazol-3-amine, 5-(methylthio)- can be summarised as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.83; (8)ACD/KOC (pH 7.4): 25.02; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 59.25 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 32.53 cm3; (15)Molar Volume: 88.8 cm3; (16)Polarizability: 12.89×10-24cm3; (17)Surface Tension: 93.6 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 191.9 °C; (20)Enthalpy of Vaporization: 64.37 kJ/mol; (21)Boiling Point: 393.7 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-06 mmHg at 25°C.
Uses of this chemical: The 1H-1,2,4-Triazol-3-amine, 5-(methylthio)- could react with phthalic acid anhydride, and obtain the 3-methylthio-5-phtalimido-1H-1,2,4-triazole. This reaction should be taken for 1 hour at the temperature of 200 °C. The yield is 82 %.
.jpg)
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. It has limited evidence of a carcinogenic effect. 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: S(c1nc(N)nn1)C
2.InChI: InChI=1/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
3.InChIKey: XGWWZKBCQLBJNH-UHFFFAOYAN