2,5-DIMETHOXY-THIOBENZAMIDE

The CAS register number of Benzenecarbothioamide,2,5-dimethoxy- is 351065-79-7. It also can be called as 2,5-Dimethoxy-thiobenzamide and the IUPAC name about this chemical is 2,5-dimethoxybenzenecarbothioamide. The molecular formula about this chemical is C₉H₁₁NO₂S and the molecular weight is 197.25. It belongs to the following product category which includes Thioamide.

Physical properties about Benzenecarbothioamide,2,5-dimethoxy- are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.26; (5)ACD/BCF (pH 7.4): 7.26; (6)ACD/KOC (pH 5.5): 143.89; (7)ACD/KOC (pH 7.4): 143.89; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.79 Å²; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 55.79 cm³; (14)Molar Volume: 164 cm³; (15)Polarizability: 22.12x10^-24cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.202 g/cm³; (18)Flash Point: 168.3 °C; (19)Enthalpy of Vaporization: 59.97 kJ/mol; (20)Boiling Point: 354.7 °C at 760 mmHg; (21)Vapour Pressure: 3.3E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1cc(OC)ccc1OC)N
(2)InChI: InChI=1/C9H11NO2S/c1-11-6-3-4-8(12-2)7(5-6)9(10)13/h3-5H,1-2H3,(H2,10,13)
(3)InChIKey: XQBSOMICYVLAMS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11NO2S/c1-11-6-3-4-8(12-2)7(5-6)9(10)13/h3-5H,1-2H3,(H2,10,13)
(5)Std. InChIKey: XQBSOMICYVLAMS-UHFFFAOYSA-N