3-METHOXY-THIOBENZAMIDE

The CAS register number of Benzenecarbothioamide,3-methoxy- is 64559-06-4. It also can be called as 3-Methoxythiobenzamide and the IUPAC name about this chemical is 3-methoxybenzenecarbothioamide. The molecular formula about this chemical is C₈H₉NOS and the molecular weight is 167.23. It belongs to the following product category which includes Thioamide.

Physical properties about Benzenecarbothioamide,3-methoxy- are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.67; (5)ACD/BCF (pH 7.4): 10.67; (6)ACD/KOC (pH 5.5): 189.45; (7)ACD/KOC (pH 7.4): 189.46; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.56 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 49.12 cm³; (14)Molar Volume: 140 cm³; (15)Polarizability: 19.47x10^-24cm³; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.194 g/cm³; (18)Flash Point: 134.5 °C; (19)Enthalpy of Vaporization: 53.88 kJ/mol; (20)Boiling Point: 298.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00124 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)ccc1)N
(2)InChI: InChI=1/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
(3)InChIKey: LQSZSWBMLMGWPC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
(5)Std. InChIKey: LQSZSWBMLMGWPC-UHFFFAOYSA-N