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| CAS No.: | 60011-16-7 |
|---|---|
| Name: | (S)-tert-Butanethiosulfinate |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H18OS2 |
| Molecular Weight: | 194.362 |
| Synonyms: | 2-Propanesulfinothioicacid, 2-methyl-, S-(1,1-dimethylethyl) ester, (S)- (9CI);S-tert-Butyl(S)-2-methyl-2-propanesulfinothioate; |
| Density: | 1.055±0.06 g/cm3(Predicted) |
| Boiling Point: | 209.3 °C at 760 mmHg |
| Flash Point: | 80.4 °C |
| PSA: | 75.08000 |
| LogP: | 2.24410 |
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- Total:18 Page 1 of 1 1
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Specification
The (S)-tert-Butanethiosulfinate with cas registry number of 60011-16-7, belongs to the following product categories: API intermediates. It has the systematic name of 1-propanesulfinothioato, 2-methyl-, ion(1-). And it is also named 1-propanesulfinothioato, 2-methyl-, ion(1-).
Physical properties about this chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.52; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 36.28 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 37.29 cm3; (14)Molar Volume: 118.4 cm3; (15)Polarizability: 14.78×10-24cm3; (16)Surface Tension: 47.7 dyne/cm; (17)Enthalpy of Vaporization: 42.74 kJ/mol; (18)Vapour Pressure: 0.295 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CS(=O)[S-];
(2)InChI: InChI=1/C4H10OS2/c1-4(2)3-7(5)6/h4H,3H2,1-2H3,(H,5,6)/p-1;
(3)InChIKey: YWKLEAJNTDXVNX-REWHXWOFAU;
(4)Std. InChI: InChI=1S/C4H10OS2/c1-4(2)3-7(5)6/h4H,3H2,1-2H3,(H,5,6)/p-1;
(5)Std. InChIKey: YWKLEAJNTDXVNX-UHFFFAOYSA-M