5-(4-bromobenzenesulfonyl)-1,2,3-thiadiazole

5-(4-bromobenzenesulfonyl)-1,2,3-thiadiazole

CAS: 338397-19-6

Formula: C8H5BrN2O2S2

SMILES: BrC1=CC=C(C=C1)S(=O)(=O)C1=CN=NS1

IUPAC: 5-(4-bromobenzenesulfonyl)-1,2,3-thiadiazole

InChI: InChI=1S/C8H5BrN2O2S2/c9-6-1-3-7(4-2-6)15(12,13)8-5-10-11-14-8/h1-5H

Composition: C (31.49%), H (1.65%), Br (26.18%), N (9.18%), O (10.49%), S (21.01%)

Molar Mass: 305.16

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.897583
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PYCLKXZDEIVVKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.67
Topological Polar Surface Area	59.92
Polarizability	24.39
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	338397-19-6		$51.35-$86.31$51.35$63.37$86.31