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CAS No.: | 859205-88-2 |
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Name: | 5-methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9N3S |
Molecular Weight: | 179.246 |
Synonyms: | 5-Methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine;5-Methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine;MFCD11519388; |
Density: | 1.3 g/cm3 |
PSA: | 55.49000 |
LogP: | 1.75960 |
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The Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- with CAS registry number of 859205-88-2 is also known as 5-Methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine. The systematic name is 5-Methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine. It belongs to product categories of Chiral Chemicals. In addition, the formula is C8H9N3S and the molecular weight is 179.24.
Physical properties about Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): 1.29; (4)ACD/BCF (pH 5.5): 5.61; (5)ACD/BCF (pH 7.4): 5.61; (6)ACD/KOC (pH 5.5): 119.61; (7)ACD/KOC (pH 7.4): 119.61; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.679; (11)Molar Refractivity: 51.81 cm3; (12)Molar Volume: 137.2 cm3; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.3 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: CSc1ncnn2ccc(C)c12
2. InChI: InChI=1/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
3. InChIKey: QYEJRILORDMTIT-UHFFFAOYAE
4. Std. InChI: InChI=1S/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
5. Std. InChIKey: QYEJRILORDMTIT-UHFFFAOYSA-N