2-bromo-4-methyl-1,3-benzothiazole

2-bromo-4-methyl-1,3-benzothiazole

CAS: 73443-76-2

Formula: C8H6BrNS

SMILES: CC1=C2N=C(Br)SC2=CC=C1

IUPAC: 2-bromo-4-methyl-1,3-benzothiazole

InChI: InChI=1S/C8H6BrNS/c1-5-3-2-4-6-7(5)10-8(9)11-6/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	YDBIDZHRJCRSKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.79
Topological Polar Surface Area	12.89
Polarizability	20.23
Ring Count	2
Rotatable Bond Count	0

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