2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

Formula: C13H13ClN4O3S

SMILES: CC(C)CC1=NN=C(NC(=O)C2=CC=C(C=C2Cl)[N+]([O-])=O)S1

IUPAC: 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

InChI: InChI=1S/C13H13ClN4O3S/c1-7(2)5-11-16-17-13(22-11)15-12(19)9-4-3-8(18(20)21)6-10(9)14/h3-4,6-7H,5H2,1-2H3,(H,15,17,19)

Composition: C (45.82%), H (3.85%), Cl (10.40%), N (16.44%), O (14.08%), S (9.41%)

Molar Mass: 340.78

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	340.0396892
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CYJTUBCWGIBXKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.74
Topological Polar Surface Area	98.02
Polarizability	31.09
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13ClN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00