3-(butylamino)-1??,2-benzothiazole-1,1-dione

3-(butylamino)-1??,2-benzothiazole-1,1-dione

Formula: C11H14N2O2S

SMILES: CCCCNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: 3-(butylamino)-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C11H14N2O2S/c1-2-3-8-12-11-9-6-4-5-7-10(9)16(14,15)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)

Composition: C (55.44%), H (5.92%), N (11.76%), O (13.43%), S (13.45%)

Molar Mass: 238.31

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.077598873
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KQYODQYERBKKEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.02
Topological Polar Surface Area	58.53
Polarizability	24.8
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H14N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00