6-bromo-2-methyl-1,3-benzothiazole

6-bromo-2-methyl-1,3-benzothiazole

CAS: 5304-21-2

Formula: C8H6BrNS

SMILES: CC1=NC2=CC=C(Br)C=C2S1

IUPAC: 6-bromo-2-methyl-1,3-benzothiazole

InChI: InChI=1S/C8H6BrNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3

Composition: C (42.12%), H (2.65%), Br (35.03%), N (6.14%), S (14.05%)

Molar Mass: 228.11

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	226.940433
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NPBQNFVPWXRIGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.19
Topological Polar Surface Area	12.89
Polarizability	20.13
Ring Count	2
Rotatable Bond Count	0

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