Stepronin

The IUPAC name of Stepronin is 2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetic acid. With the CAS registry number 72324-18-6, it is also named as N-(1-Oxo-2-((2-thienylcarbonyl)thio)propyl)glycine. The product's classification codes are Anti-Infective Agents; Antiviral Agents; Drug / Therapeutic Agent; Expectorants; Immunologic Factors; Immunosuppressive Agents; Respiratory System Agents. Besides, it is a mucolytic. In addition, its molecular formula is C₁₀H₁₁NO₄S₂ and molecular weight is 273.32.

The other characteristics of Stepronin can be summarized as: (1)EINECS: 276-587-4; (2)ACD/LogP: 1.07; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.2; (5)ACD/LogD (pH 7.4): -2.54; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 117.22 Å²; (14)Index of Refraction: 1.609; (15)Molar Refractivity: 66.34 cm³; (16)Molar Volume: 191.3 cm³; (17)Polarizability: 26.29×10^-24cm³; (18)Surface Tension: 62.2 dyne/cm; (19)Density: 1.428 g/cm³; (20)Flash Point: 269 °C; (21)Enthalpy of Vaporization: 83.62 kJ/mol; (22)Boiling Point: 521.2 °C at 760 mmHg; (23)Vapour Pressure: 1.09E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)CNC(=O)C(SC(=O)c1sccc1)C
(2)InChI: InChI=1/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
(3)InChIKey: JNYSEDHQJCOWQU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
(5)Std. InChIKey: JNYSEDHQJCOWQU-UHFFFAOYSA-N

The toxicity data is as follows: