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Sulfametomidine
[CAS 3772-76-7]

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Identification
Name Sulfametomidine
Synonyms 4-Amino-N-(6-Methoxy-2-Methyl-Pyrimidin-4-Yl)Benzenesulfonamide; 4-Amino-N-(6-Methoxy-2-Methyl-4-Pyrimidinyl)Benzenesulfonamide; 4-Amino-N-[2-Methyl-6-(Methyloxy)Pyrimidin-4-Yl]Benzenesulfonamide
Molecular Structure CAS#: 3772-76-7, Sulfametomidine
Molecular Formula C12H14N4O3S
Molecular Weight 294.33
CAS Registry Number 3772-76-7
EINECS 223-219-5
SMILES C1=C(N=C(N=C1N[S](C2=CC=C(N)C=C2)(=O)=O)C)OC
InChI 1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey QKLSCPPJEVXONT-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 501.6±60.0°C at 760 mmHg (Cal.)
Flash point 257.2±32.9°C (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
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