4,7-dibromo-2-phenyl-1,3-benzothiazole

4,7-dibromo-2-phenyl-1,3-benzothiazole

CAS: 1588440-95-2

Formula: C13H7Br2NS

SMILES: BrC1=C2SC(=NC2=C(Br)C=C1)C1=CC=CC=C1

IUPAC: 4,7-dibromo-2-phenyl-1,3-benzothiazole

InChI: InChI=1S/C13H7Br2NS/c14-9-6-7-10(15)12-11(9)16-13(17-12)8-4-2-1-3-5-8/h1-7H

Composition: C (42.31%), H (1.91%), Br (43.30%), N (3.80%), S (8.69%)

Molar Mass: 369.07

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	366.866596
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GRDUECATKOOADC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.48
Topological Polar Surface Area	12.89
Polarizability	31.42
Ring Count	3
Rotatable Bond Count	1

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