CAS No.136849-15-5,Cyclosulfamuron Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	136849-15-5
Name:	Cyclosulfamuron
Article Data:	2

Formula:	C₁₇H₁₉N₅O₆S
Molecular Weight:	421.434
Synonyms:	Invest;
Density:	1.532 g/cm³
Melting Point:	162.0℃
Solubility:	Solubility in water (g/l at 25 °C): 0.001 (pH 5) 0.003 (pH 6) 0.006 (pH 7) 0.032 (pH 8).
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
PSA:	156.99000
LogP:	3.18260

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Specification

The Cyclosulfamuron, with the CAS registry number of 136849-15-5, is also known as Invest. This chemical's molecular formula is C₁₇H₁₉N₅O₆S and molecular weight is 421.43. What's more, its IUPAC name is 1-[[2-(Cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea. This chemical's classification code is Herbicides. In addition, it must be stored in airtight containers and placed at 0-6 °C. It is a Phenylsulfonylureas herbicide used for rice, wheat, barley, broad leaf and cyperaceae.

Physical properties about the Cyclosulfamuron are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 130.62 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 100.87 cm³; (15)Molar Volume: 274.9 cm³; (16)Surface Tension: 75.5 dyne/cm; (17)Density: 1.532 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)Nc3ccccc3C(=O)C2CC2
(2) InChI:InChI=1/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)
(3) InChIKey:OFSLKOLYLQSJPB-UHFFFAOYAU