Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Methyl-1-(4-nitrophenyl)sulfonyl-urea |
EINECS | N/A |
CAS No. | 52102-45-1 | Density | 1.487 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9N3O5S | Boiling Point | N/A |
Molecular Weight | 259.2392 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Article Data | 3 |
The CAS registry number of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea is 52102-45-1. This chemical's molecular formula is C8H9N3O5S and molecular weight is 259.2392. What's more, its systematic name is called N-(Methylcarbamoyl)-4-nitrobenzenesulfonamide.
Physical properties about 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea are: (1)ACD/LogP: 0.49; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 111.89 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 58.28 cm3; (9)Molar Volume: 174.3 cm3; (10)Polarizability: 23.1×10-24 cm3; (11)Surface Tension: 58.5 dyne/cm; (12)Density: 1.487 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NC(=O)NC)c1ccc([N+]([O-])=O)cc1
(2) InChI: InChI=1/C8H9N3O5S/c1-9-8(12)10-17(15,16)7-4-2-6(3-5-7)11(13)14/h2-5H,1H3,(H2,9,10,12)
(3) InChIKey: FQFPRSDCVUYSFJ-UHFFFAOYAL