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CAS No.: | 30860-66-3 |
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Name: | 2-[(tributylstannyl)thio]pyridine 1-oxide |
Molecular Structure: | |
Formula: | C17H31NOSSn |
Molecular Weight: | 416.21 |
Synonyms: | Stannane,tributyl(2-pyridylthio)-, N-oxide (8CI); |
EINECS: | 250-362-0 |
Boiling Point: | 474.4 °C at 760 mmHg |
Flash Point: | 240.7 °C |
PSA: | 25.46000 |
LogP: | 4.69880 |
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The Pyridine, 2-[(tributylstannyl)thio]-, 1-oxide, with the CAS registry number 30860-66-3, is also known as 2-[(Tributylstannyl)sulfanyl]pyridine 1-oxide. Its EINECS registry number is 250-362-0. This chemical's molecular formula is C17H31NOSSn and molecular weight is 416.21. What's more, its systematic name is Tributyl-(1-oxidopyridin-1-ium-2-yl)sulfanyl-stannane.
Physical properties about Pyridine, 2-[(tributylstannyl)thio]-, 1-oxide are: (1)ACD/LogP: 7.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.63; (4)ACD/LogD (pH 7.4): 7.63; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 50.76 Å2; (9)Flash Point: 240.7 °C; (10)Enthalpy of Vaporization: 70.95 kJ/mol; (11)Boiling Point: 474.4 °C at 760 mmHg; (12)Vapour Pressure: 1.04E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCC[Sn](CCCC)(Sc1cccc[n+]1[O-])CCCC
(2) InChI: InChI=1/C5H5NOS.3C4H9.Sn/c7-6-4-2-1-3-5(6)8;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC17H31NOSSn/c1-4-7-14-21(15-8-5-2,16-9-6-3)20-17-12-10-11-13-18(17)19/h10-13H,4-9,14-16H2,1-3H3
(3) InChIKey: IZLTYRKHPKGVOT-DUXMIULPAX