4-({[(4-nitrophenyl)formamido]methanethioyl}amino)benzoic acid

4-({[(4-nitrophenyl)formamido]methanethioyl}amino)benzoic acid

Formula: C15H11N3O5S

SMILES: OC(=O)C1=CC=C(NC(=S)NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: 4-({[(4-nitrophenyl)formamido]methanethioyl}amino)benzoic acid

InChI: InChI=1S/C15H11N3O5S/c19-13(9-3-7-12(8-4-9)18(22)23)17-15(24)16-11-5-1-10(2-6-11)14(20)21/h1-8H,(H,20,21)(H2,16,17,19,24)

Composition: C (52.17%), H (3.21%), N (12.17%), O (23.16%), S (9.28%)

Molar Mass: 345.33

Atom Count: 35

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	345.04194164
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	AABMNJJVMRTJJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.4
Topological Polar Surface Area	121.57
Polarizability	33.42
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00