Tioacetazon : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Tioacetazon

Tioacetazon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	104-06-3^Y
ATC kod	J04AM04 (WHO)
PubChem	CID 9568512
ChemSpider	7843221^Y
UNII	MMG78X7SSR^Y
KEGG	D08584^Y
ChEMBL	CHEMBL375492^Y
Sinonimi	N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
Hemijski podaci
Formula	C₁₀H₁₂N₄OS
Molarna masa	236,293
SMILES C\C(=N/c1ccc(\C=N\NC(=N)S)cc1)\O
InChI InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+^Y Key:SRVJKTDHMYAMHA-WUXMJOGZSA-N^Y

Tioacetazon je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 236,293 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	4
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,9
Rastvorljivost^[2] (logS, log(mol/L))	-1,7
Polarna površina^[3] (PSA, Å²)	119,6

^ 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.