1-(benzenesulfonyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea

1-(benzenesulfonyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea

CAS: 866150-37-0

Formula: C13H16N4O3S2

SMILES: CC(C)(C)C1=NN=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2)S1

IUPAC: 1-(benzenesulfonyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea

InChI: InChI=1S/C13H16N4O3S2/c1-13(2,3)10-15-16-12(21-10)14-11(18)17-22(19,20)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,16,17,18)

Composition: C (45.87%), H (4.74%), N (16.46%), O (14.10%), S (18.84%)

Molar Mass: 340.42

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	340.066382739
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	SGTCBQAFBURWBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.86
Topological Polar Surface Area	101.05
Polarizability	32.56
Ring Count	2
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	866150-37-0		$51.35-$86.31$51.35$63.37$86.31