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Metantiol

Metanetiol je organsko jedinjenje, koje sadrži 1 atom ugljenika i ima molekulsku masu od 48,107 Da.

Metanetiol
Identifikacija
CAS registarski broj 74-93-1 DaY
ChemSpider[1] 855 DaY
UNII 2X8406WW9I DaY
KEGG[2] C00409
ChEBI 16007
Jmol-3D slike Slika 1
Svojstva
Molekulska formula CH4S
Molarna masa 48.11 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Osobine

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Osobina Vrednost
Broj akceptora vodonika 1
Broj donora vodonika 1
Broj rotacionih veza 0
Particioni koeficijent[3] (ALogP) 0,6
Rastvorljivost[4] (logS, log(mol/L)) 1,1
Polarna površina[5] (PSA, Å2) 38,8

Reference

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  1. ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  2. ↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  3. ↑ Ghose, A.K., Viswanadhan V.N., and 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. 
  4. ↑ 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. DOI:10.1021/ci000392t. PMID 11749573. 
  5. ↑ 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

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