3-{[3-(dimethylamino)propyl]amino}-1??,2-benzothiazole-1,1-dione

3-{[3-(dimethylamino)propyl]amino}-1??,2-benzothiazole-1,1-dione

Formula: C12H17N3O2S

SMILES: CN(C)CCCNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: 3-{[3-(dimethylamino)propyl]amino}-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C12H17N3O2S/c1-15(2)9-5-8-13-12-10-6-3-4-7-11(10)18(16,17)14-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)

Composition: C (53.91%), H (6.41%), N (15.72%), O (11.97%), S (11.99%)

Molar Mass: 267.35

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.104147973
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ITTQUMKADFEWQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.03
Topological Polar Surface Area	61.77
Polarizability	28.17
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H17N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00