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

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

CAS: 338978-76-0

Formula: C9H7BrN2O2S2

SMILES: CC1=C(SN=N1)S(=O)(=O)C1=CC=C(Br)C=C1

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

InChI: InChI=1S/C9H7BrN2O2S2/c1-6-9(15-12-11-6)16(13,14)8-4-2-7(10)3-5-8/h2-5H,1H3

Composition: C (33.87%), H (2.21%), Br (25.03%), N (8.78%), O (10.02%), S (20.09%)

Molar Mass: 319.19

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	317.913233
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RRGDEFJYSNBOCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.26
Topological Polar Surface Area	59.92
Polarizability	26.11
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	338978-76-0		$51.35-$86.31$51.35$63.37$86.31