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

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

CAS: 1502927-80-1

Formula: C8H5BrN2OS

SMILES: NC(=O)C1=CC=C2N=C(Br)SC2=C1

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

InChI: InChI=1S/C8H5BrN2OS/c9-8-11-5-2-1-4(7(10)12)3-6(5)13-8/h1-3H,(H2,10,12)

Composition: C (37.37%), H (1.96%), Br (31.08%), N (10.90%), O (6.22%), S (12.47%)

Molar Mass: 257.11

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.930597
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NACBSSTVPCVRRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.83
Topological Polar Surface Area	55.98
Polarizability	21.43
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1502927-80-1		$103.40-$465.31$103.40$172.76$465.31