5,6-bis(octyloxy)-2,1,3-benzothiadiazole

5,6-bis(octyloxy)-2,1,3-benzothiadiazole

CAS: 1254353-37-1

Formula: C22H36N2O2S

SMILES: CCCCCCCCOC1=CC2=NSN=C2C=C1OCCCCCCCC

IUPAC: 5,6-bis(octyloxy)-2,1,3-benzothiadiazole

InChI: InChI=1S/C22H36N2O2S/c1-3-5-7-9-11-13-15-25-21-17-19-20(24-27-23-19)18-22(21)26-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

Composition: C (67.31%), H (9.24%), N (7.14%), O (8.15%), S (8.17%)

Molar Mass: 392.6

Atom Count: 63

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	392.249749581
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GNYCNFWCQGDJRG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.02
Topological Polar Surface Area	44.24
Polarizability	45.61
Ring Count	2
Rotatable Bond Count	16

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