3-(1,3-benzothiazol-2-yl)-2-methylaniline

3-(1,3-benzothiazol-2-yl)-2-methylaniline

CAS: 292644-35-0

Formula: C14H12N2S

SMILES: CC1=C(N)C=CC=C1C1=NC2=CC=CC=C2S1

IUPAC: 3-(1,3-benzothiazol-2-yl)-2-methylaniline

InChI: InChI=1S/C14H12N2S/c1-9-10(5-4-6-11(9)15)14-16-12-7-2-3-8-13(12)17-14/h2-8H,15H2,1H3

Composition: C (69.97%), H (5.03%), N (11.66%), S (13.34%)

Molar Mass: 240.32

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	240.072119568
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BJDZJFVKBZFUDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.97
Topological Polar Surface Area	38.91
Polarizability	28.87
Ring Count	3
Rotatable Bond Count	1

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