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Sulfisomidine
[CAS# 515-64-0]

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Identification
Classification API >> Synthetic anti-infective drugs >> Sulfonamides and synergists
Name Sulfisomidine
Synonyms 4-Amino-N-(2,6-Dimethyl-4-Pyrimidinyl)Benzenesulfonamide; D01526; Sulfisomidine (Jan)
Molecular Structure CAS#: 515-64-0, Sulfisomidine
Molecular Formula C12H14N4O2S
Molecular Weight 278.33
CAS Registry Number 515-64-0
EINECS 208-204-3
SMILES C2=C([S](NC1=NC(=NC(=C1)C)C)(=O)=O)C=CC(=C2)N
InChI 1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey YZMCKZRAOLZXAZ-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 245°C (Expl.)
Boiling point 480.7±55.0°C at 760 mmHg (Cal.)
Flash point 244.5±31.5°C (Cal.)
Safety Data
SDS Available
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
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