2-Thiophenecarboxylicacid, 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester (217099-43-9)

The CAS register number of 2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thien-6-yl ester is 217099-43-9. It also can be called as 2-(Aminoiminomethyl)benzo[b]thiophen-6-yl ester-2-Thiophenecarboxylic acid and the systematic name about this chemical is 2-carbamimidoyl-1-benzothiophen-6-yl thiophene-2-carboxylate. The molecular formula about this chemical is C₁₄H₁₀N₂O₂S₂ and molecular weight is 302.37.

Physical properties about 2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thien-6-yl ester are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 30; (7)ACD/KOC (pH 7.4): 32; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 132.65Ų; (12)Index of Refraction: 1.751; (13)Molar Refractivity: 81.11 cm³; (14)Molar Volume: 198.828 cm³; (15)Polarizability: 32.154x10^-24cm³; (16)Surface Tension: 66.911 dyne/cm; (17)Enthalpy of Vaporization: 78.06 kJ/mol; (18)Boiling Point: 509.944 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2ccc1c(sc(c1)C(=[N@H])N)c2)c3sccc3
(2)InChI: InChI=1/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)
(3)InChIKey: OTGQTQBPQCRNRG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)
(5)Std. InChIKey: OTGQTQBPQCRNRG-UHFFFAOYSA-N