1-Butyl-3-Phenylsulfonylurea
[CAS# 3149-00-6]

Identification

• Name: 1-Butyl-3-Phenylsulfonylurea
• Synonyms: 1-Butyl-3-Phenylsulfonyl-Urea; 4-11-00-00074 (Beilstein Handbook Reference); Brn 2217201
• Molecular Formula: C₁₁H₁₆N₂O₃S
• Molecular Weight: 256.32
• CAS Registry Number: 3149-00-6
• EINECS: 221-578-2
• SMILES: C1=C([S](NC(NCCCC)=O)(=O)=O)C=CC=C1
• InChI: 1S/C11H16N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
• InChIKey: AFOGBLYPWJJVAL-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493