Tiofosforil fluorid

Tiofosforil fluorid
Identifikacija
CAS registarski broj	2404-52-6^Y
ChemSpider[1]	121246^Y
Jmol-3D slike	Slika 1
SMILES FP(=S)(F)F
InChI InChI=1S/F3PS/c1-4(2,3)5^Y Kod: LHGOOQAICOQNRG-UHFFFAOYSA-N^Y InChI=InChI=1S/F3PS/c1-4(2,3)5
Svojstva
Molekulska formula	F3PS
Molarna masa	120.03 g mol^−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references

Tiofosforil fluorid je hemijsko jedinjenje, koje ima molekulsku masu od 120,034 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent[2] (ALogP)	1,3
Rastvorljivost[3] (logS, log(mol/L))	-1,9
Polarna površina[4] (PSA, Å^2)	41,9

Reference

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. 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. 
3. 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. 
4. 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

• Holleman A. F., Wiberg E. (2001). Inorganic Chemistry (1st edition izd.). San Diego: Academic Press. ISBN 0-12-352651-5. 
• Housecroft C. E., Sharpe A. G. (2008). Inorganic Chemistry (3rd izd.). Prentice Hall. ISBN 978-0-13-175553-6. 

Spoljašnje veze

Portal Hemija

• Thiophosphoryl fluoride