Dichloro-1,2-dithiacyclopentenone

The 3H-1,2-Dithiol-3-one,4,5-dichloro- is an organic compound with the formula C₃Cl₂OS₂. The IUPAC name of this chemical is 4,5-dichlorodithiol-3-one. With the CAS registry number 1192-52-5 and EINECS 214-754-5, it is also named as 4,5-Dichloro-1,2-dithiacyclopentenone. In addition, this chemical should be stored at the temperature of 2-8°C.

The other characteristics of 3H-1,2-Dithiol-3-one,4,5-dichloro- can be summarized as: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.48; (6)ACD/BCF (pH 7.4): 4.48; (7)ACD/KOC (pH 5.5): 101.83; (8)ACD/KOC (pH 7.4): 101.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.701; (13)Molar Refractivity: 39.15 cm³; (14)Molar Volume: 101.1 cm³; (15)Polarizability: 15.52×10^-24 cm³; (16)Surface Tension: 66 dyne/cm; (17)Enthalpy of Vaporization: 47.49 kJ/mol; (18)Vapour Pressure: 0.0433 mmHg at 25°C; (19)Exact Mass: 185.876761; (20)MonoIsotopic Mass: 185.876761; (21)Topological Polar Surface Area: 67.7; (22)Heavy Atom Count: 8; (23)Complexity: 165.

When you are using this chemical, please be cautious about it as the following:
It is not only toxic if swallowed, but also irritating to respiratory system and skin. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:O=C1SSC(/Cl)=C1/Cl
2. InChI:InChI=1/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
3. InChIKey:QGSRKGWCQSATCL-UHFFFAOYAU

The following are the toxicity data which has been tested.