Sulfonmetan : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Sulfonmetan

Sulfonmetan
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	115-24-2^Y
ATC kod	none
PubChem	CID 8262
ChemSpider	7964^Y
UNII	W00D22B592^Y
Hemijski podaci
Formula	C₇H₁₆O₄S₂
Molarna masa	228,330
SMILES CCS(=O)(=O)C(C)(C)S(=O)(=O)CC
InChI InChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3^Y Key:CESKLHVYGRFMFP-UHFFFAOYSA-N^Y

Sulfonmetan je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 228,330 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	0,2
Rastvorljivost^[2] (logS, log(mol/L))	-1,6
Polarna površina^[3] (PSA, Å²)	85,0

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.