4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoic acid

4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoic acid

Formula: C16H12N2O4S

SMILES: OC(=O)C1=CC=C(NC(=O)CSC2=NC3=CC=CC=C3O2)C=C1

IUPAC: 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoic acid

InChI: InChI=1S/C16H12N2O4S/c19-14(17-11-7-5-10(6-8-11)15(20)21)9-23-16-18-12-3-1-2-4-13(12)22-16/h1-8H,9H2,(H,17,19)(H,20,21)

Composition: C (58.53%), H (3.68%), N (8.53%), O (19.49%), S (9.76%)

Molar Mass: 328.34

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	328.051778048
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CNSQETRMTCZBJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.72
Topological Polar Surface Area	92.43
Polarizability	33.72
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00