(R)-tert-Butanethiosulfinate supplier

Name
(R)-tert-Butanethiosulfinate
EINECS
CAS No. 67734-35-4
Article Data14
CAS DataBase
Density 1.055 g/cm³
Solubility
Melting Point 78.5-81.2 °C
Formula C₈H₁₈OS₂
Boiling Point 272.496 °C at 760 mmHg
Molecular Weight 194.362
Flash Point 118.602 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanesulfinothioicacid, 2-methyl-, S-(1,1-dimethylethyl) ester, [S(R)]- (9CI);(R)-S-tert-Butyltert-butanethiosulfinate;[S(R)]-2-Methyl-2-propanesulfinothioic acidS-(1,1-dimethylethyl) ester;(R)-tert-Butanethiosulfinate;(R)-(+)-tert-Butyl tert-butanethiosulfinate;
PSA 61.58000
LogP 3.84600

(R)-tert-Butanethiosulfinate Specification

The systematic name of (R)-tert-Butanethiosulfinate is S-tert-butyl 2-methylpropane-2-sulfinothioate. With the CAS registry number 67734-35-4, it is also named as (R)-(+)-tert-Butyl tert-butanethiosulfinate. The product is an intermediate used in organic synthesis. In addition, its molecular formula is C₈H₁₈OS₂ and molecular weight is 194.36.

The other characteristics of (R)-tert-Butanethiosulfinate can be summarized as: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 355; (8)ACD/KOC (pH 7.4): 355; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.58 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 55.903 cm³; (15)Molar Volume: 184.159 cm³; (16)Polarizability: 22.162×10^-24cm³; (17)Surface Tension: 39.682 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 118.602 °C; (20)Enthalpy of Vaporization: 49.023 kJ/mol; (21)Boiling Point: 272.496 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(SC(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3/t11-/m0/s1
(3)InChIKey: ZFKIFCIQBZYNIQ-NSHDSACABJ
(4)Std. InChI: InChI=1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3/t11-/m0/s1
(5)Std. InChIKey: ZFKIFCIQBZYNIQ-NSHDSACASA-N

Product Name

(R)-tert-Butanethiosulfinate

(R)-tert-Butanethiosulfinate Specification

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