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

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

CAS: 110704-32-0

Formula: C8H6BrNS

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

IUPAC: 7-bromo-2-methyl-1,3-benzothiazole

InChI: InChI=1S/C8H6BrNS/c1-5-10-7-4-2-3-6(9)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	KSKLNTXDNWKVPA-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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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	110704-32-0		$255.98-$1,127.33$255.98$465.31$1,127.33