5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-carboxylic acid

5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-carboxylic acid

Formula: C16H18O5S

SMILES: CC(C)CC1=CC=C(C=C1)S(=O)(=O)CC1=CC=C(O1)C(O)=O

IUPAC: 5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-carboxylic acid

InChI: InChI=1S/C16H18O5S/c1-11(2)9-12-3-6-14(7-4-12)22(19,20)10-13-5-8-15(21-13)16(17)18/h3-8,11H,9-10H2,1-2H3,(H,17,18)

Composition: C (59.61%), H (5.63%), O (24.81%), S (9.94%)

Molar Mass: 322.38

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.087494854
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HNEKSPDQXWLQJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.49
Topological Polar Surface Area	84.58
Polarizability	32.43
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H18O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00