2-Methoxy-4-pyridinecarbothioamide (929972-07-6)

The CAS register number of 2-Methoxy-4-pyridinecarbothioamide is 929972-07-6. The systematic name about this chemical is 2-methoxypyridine-4-carbothioamide. The molecular formula about this chemical is C₇H₈N₂OS and molecular weight is 168.21. 

Physical properties about 2-Methoxy-4-pyridinecarbothioamide are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 69; (7)ACD/KOC (pH 7.4): 69; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 80.23Ų; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 47.213 cm³; (14)Molar Volume: 133.229 cm³; (15)Polarizability: 18.717x10^-24cm³; (16)Surface Tension: 62.102 dyne/cm; (17)Enthalpy of Vaporization: 54.361 kJ/mol; (18)Boiling Point: 303.324 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccn1)C(N)=S
(2)InChI: InChI=1/C7H8N2OS/c1-10-6-4-5(7(8)11)2-3-9-6/h2-4H,1H3,(H2,8,11)
(3)InChIKey: KUMPRKLCQYVSEP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H8N2OS/c1-10-6-4-5(7(8)11)2-3-9-6/h2-4H,1H3,(H2,8,11)
(5)Std. InChIKey: KUMPRKLCQYVSEP-UHFFFAOYSA-N