3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-methylbenzenesulfonyl)urea

3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-methylbenzenesulfonyl)urea

CAS: 60198-63-2

Formula: C11H12N4O3S2

SMILES: CC1=NN=C(NC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)S1

IUPAC: 3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-methylbenzenesulfonyl)urea

InChI: InChI=1S/C11H12N4O3S2/c1-7-3-5-9(6-4-7)20(17,18)15-10(16)12-11-14-13-8(2)19-11/h3-6H,1-2H3,(H2,12,14,15,16)

Composition: C (42.30%), H (3.87%), N (17.94%), O (15.37%), S (20.53%)

Molar Mass: 312.36

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	312.03508261
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OFWVVSQWNHEQBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.2
Topological Polar Surface Area	101.05
Polarizability	28.85
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	60198-63-2		$51.35-$524.40$51.35$63.37$86.31$524.40