N-(5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

N-(5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

Formula: C11H9ClN4O3S2

SMILES: CC(=O)NC1=NN=C(SCC2=C(Cl)C=CC=C2[N+]([O-])=O)S1

IUPAC: N-(5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

InChI: InChI=1S/C11H9ClN4O3S2/c1-6(17)13-10-14-15-11(21-10)20-5-7-8(12)3-2-4-9(7)16(18)19/h2-4H,5H2,1H3,(H,13,14,17)

Composition: C (38.32%), H (2.63%), Cl (10.28%), N (16.25%), O (13.92%), S (18.60%)

Molar Mass: 344.79

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	343.9804602
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KGUPOWKVWUYTEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.74
Topological Polar Surface Area	98.02
Polarizability	30.62
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H9ClN4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00