(S)-tert-Butanethiosulfinate supplier

Name
(S)-tert-Butanethiosulfinate
EINECS
CAS No. 60011-16-7
Article Data12
CAS DataBase
Density 1.055±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₈H₁₈OS₂
Boiling Point 209.3 °C at 760 mmHg
Molecular Weight 194.362
Flash Point 80.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanesulfinothioicacid, 2-methyl-, S-(1,1-dimethylethyl) ester, (S)- (9CI);S-tert-Butyl(S)-2-methyl-2-propanesulfinothioate;
PSA 75.08000
LogP 2.24410

(S)-tert-Butanethiosulfinate 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

Product Name

(S)-tert-Butanethiosulfinate

(S)-tert-Butanethiosulfinate Specification

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