Molecular Structure of Sulfanilylurea (CAS NO.547-44-4):
EINECS: 208-922-7
IUPAC Name: (4-Aminophenyl)sulfonylurea
Molecular Formula: C7H9N3O3S
Molecular Weight: 215.229660 g/mol
XLogP3: -1.5
H-Bond Donor: 3
H-Bond Acceptor: 4
Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N
InChI: InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
InChIKey: WVAKABMNNSMCDK-UHFFFAOYSA-N
Index of Refraction: 1.634
Molar Refractivity: 51.2 cm3
Molar Volume: 143.1 cm3
Surface Tension: 70.3 dyne/cm
Density: 1.504 g/cm3
Water Solubility of Sulfanilylurea (CAS NO.547-44-4): 1.271e+004 mg/L at 25 °C
1. | ipr-mus LD50:405 mg/kg | FRZKAP Farmatsevtichnii Zhurnal (Kiev).(6)(1987),26. |
Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and SOx.
Sulfanilylurea with CAS registry number of 547-44-4 is known as 1-(4-Aminobenzenesulfonyl)urea ; 4-14-00-02667 (Beilstein Handbook Reference) ; 4-Amino-N-(aminocarbonyl)benzenesulfonamide ; 4-Sulfacarbamide ; A 435 ; A 435 (VAN) ; Euvernil ; K 7617 ; N-Sulfanilcarbamide ; NSC 78438 ; Solfacarbamide ; Sulfacarbamide [INN:DCF] ; Solfacarbamide [DCIT] ; Sulfacarbamida ; Sulfacarbamida [INN-Spanish] ; Sulfacarbamide ; Sulfacarbamidum ; Sulfacarbamidum [INN-Latin] ; Sulfanilamide, N(sup1)-carbamoyl- ; Sulfanilcarbamid ; Sulfanilcarbamide ; Sulfanylharnstoff ; Sulfanyluree ; Sulfaurea ; Sulfaurea (VAN) ; Sulphaurea ; Thiocarbamid ; Uractyl ; Uramid ; Urenil ; Urosulfan ; Urosulfane ; Urosulphanum ; Urea, sulfanilyl- ; p-Aminobenzenesulfonylurea ; Benzenesulfonamide, 4-amino-N-(aminocarbonyl)- (9CI) .
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