2-{[(2-carboxyphenyl)sulfanyl]methyl}-5-methylfuran-3-carboxylic acid

2-{[(2-carboxyphenyl)sulfanyl]methyl}-5-methylfuran-3-carboxylic acid

Formula: C14H12O5S

SMILES: CC1=CC(C(O)=O)=C(CSC2=CC=CC=C2C(O)=O)O1

IUPAC: 2-{[(2-carboxyphenyl)sulfanyl]methyl}-5-methylfuran-3-carboxylic acid

InChI: InChI=1S/C14H12O5S/c1-8-6-10(14(17)18)11(19-8)7-20-12-5-3-2-4-9(12)13(15)16/h2-6H,7H2,1H3,(H,15,16)(H,17,18)

Composition: C (57.53%), H (4.14%), O (27.37%), S (10.97%)

Molar Mass: 292.31

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	292.04054466
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HMIGCRBWQUHQPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.69
Topological Polar Surface Area	87.74
Polarizability	28.18
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H12O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00