Ritiometan : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Ritiometan

Ritiometan
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	34914-39-1^Y
ATC kod	R01AX05 (WHO)
PubChem	CID 65787
ChemSpider	59206^Y
UNII	J89LM8QVEE^Y
Sinonimi	(methylidynetrithio)triacetic acid
Hemijski podaci
Formula	C₇H₁₀O₆S₃
Molarna masa	286,346
SMILES OC(=O)CSC(SCC(=O)O)SCC(=O)O
InChI InChI=1S/C7H10O6S3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13)^Y Key:ZBNBQISDCFIEQC-UHFFFAOYSA-N^Y

Ritiometan je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 286,346 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	3
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	1,2
Rastvorljivost^[2] (logS, log(mol/L))	-1,6
Polarna površina^[3] (PSA, Å²)	187,8

^ 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.