3-({3-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-1??,2-benzothiazole-1,1-dione

3-({3-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-1??,2-benzothiazole-1,1-dione

Formula: C18H21N3O3S

SMILES: CCN(CC)CC1=CC(NC2=NS(=O)(=O)C3=C2C=CC=C3)=CC=C1O

IUPAC: 3-({3-[(diethylamino)methyl]-4-hydroxyphenyl}amino)-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C18H21N3O3S/c1-3-21(4-2)12-13-11-14(9-10-16(13)22)19-18-15-7-5-6-8-17(15)25(23,24)20-18/h5-11,22H,3-4,12H2,1-2H3,(H,19,20)

Composition: C (60.15%), H (5.89%), N (11.69%), O (13.35%), S (8.92%)

Molar Mass: 359.44

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	359.130362722
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	MHCJXDVIRHEPPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.73
Topological Polar Surface Area	82
Polarizability	38.35
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00