4-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide

4-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide

Formula: C12H12N2O4S

SMILES: CC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1CCSC1=O

IUPAC: 4-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide

InChI: InChI=1/C12H12N2O4S/c1-7-2-3-8(6-10(7)14(17)18)11(15)13-9-4-5-19-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,13,15)

Composition: C (51.42%), H (4.32%), N (9.99%), O (22.83%), S (11.44%)

Molar Mass: 280.3

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	280.051778048
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NWATYIRRNAGQDY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.24
Topological Polar Surface Area	89.31
Polarizability	26.7
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H12N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00