N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,4-dinitrobenzamide

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,4-dinitrobenzamide

Formula: C14H9N5O5S

SMILES: CC1=C(NC(=O)C2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C2=NSN=C2C=C1

IUPAC: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,4-dinitrobenzamide

InChI: InChI=1S/C14H9N5O5S/c1-7-2-5-10-13(17-25-16-10)12(7)15-14(20)9-4-3-8(18(21)22)6-11(9)19(23)24/h2-6H,1H3,(H,15,20)

Composition: C (46.80%), H (2.52%), N (19.49%), O (22.26%), S (8.92%)

Molar Mass: 359.32

Atom Count: 34

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	359.032439584
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	BHAKYNWXZWHBFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.76
Topological Polar Surface Area	141.16
Polarizability	33.05
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H9N5O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00