4-[7-(4-aminophenyl)-2,1,3-benzothiadiazol-4-yl]aniline

4-[7-(4-aminophenyl)-2,1,3-benzothiadiazol-4-yl]aniline

CAS: 1203707-77-0

Formula: C18H14N4S

SMILES: NC1=CC=C(C=C1)C1=CC=C(C2=NSN=C12)C1=CC=C(N)C=C1

IUPAC: 4-[7-(4-aminophenyl)-2,1,3-benzothiadiazol-4-yl]aniline

InChI: InChI=1S/C18H14N4S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H,19-20H2

Composition: C (67.90%), H (4.43%), N (17.60%), S (10.07%)

Molar Mass: 318.4

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	318.093917641
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JVODNHZESHSUJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.21
Topological Polar Surface Area	77.82
Polarizability	39.12
Ring Count	4
Rotatable Bond Count	2

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