Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-tert-Butanethiosulfinate |
EINECS | N/A |
CAS No. | 60011-16-7 | Density | 1.055±0.06 g/cm3(Predicted) |
PSA | 75.08000 | LogP | 2.24410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H18OS2 | Boiling Point | 209.3 °C at 760 mmHg |
Molecular Weight | 194.362 | Flash Point | 80.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Propanesulfinothioicacid, 2-methyl-, S-(1,1-dimethylethyl) ester, (S)- (9CI);S-tert-Butyl(S)-2-methyl-2-propanesulfinothioate; |
Article Data | 12 |
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