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| CAS No.: | 106040-48-6 |
|---|---|
| Name: | Tribenuron |
| Molecular Structure: | |
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| Formula: | C14H15N5O6S |
| Molecular Weight: | 381.36 |
| Synonyms: | 2-[4-Methoxy-6-methyl-1,3,5-triazin-2-yl(methyl)carbamoylsulfamoyl]benzoic acid; |
| Density: | 1.513 g/cm3 |
| Hazard Symbols: |
 Xi
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| PSA: | 160.06000 |
| LogP: | 1.89320 |
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Specification
This chemical is called Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-, and its systematic name is 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid. With the molecular formula of C14H15N5O6S, its molecular weight is 381.36. The CAS registry number of this chemical is 106040-48-6.
Other characteristics of the Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]- can be summarised as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -2.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 140.27 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 87.85 cm3; (15)Molar Volume: 252 cm3; (16)Polarizability: 34.82×10-24cm3; (17)Surface Tension: 74.7 dyne/cm; (18)Density: 1.513 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C
2.InChI: InChI=1/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21) 3.InChIKey: BQZXUHDXIARLEO-UHFFFAOYAJ