1,1-dibutyl-3-(4-methylphenyl)-1H,4H-8??-[1,3]thiazolo[2,3-f][1,3,5,2]triazaborinin-8-ylium-1-uide

1,1-dibutyl-3-(4-methylphenyl)-1H,4H-8??-[1,3]thiazolo[2,3-f][1,3,5,2]triazaborinin-8-ylium-1-uide

Formula: C19H28BN3S

SMILES: CCCC[B-]1(CCCC)N=C(NC2=[N+]1C=CS2)C1=CC=C(C)C=C1

IUPAC: 1,1-dibutyl-3-(4-methylphenyl)-1H,4H-8??-[1,3]thiazolo[2,3-f][1,3,5,2]triazaborinin-8-ylium-1-uide

InChI: InChI=1S/C19H28BN3S/c1-4-6-12-20(13-7-5-2)22-18(17-10-8-16(3)9-11-17)21-19-23(20)14-15-24-19/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,21,22)

Composition: C (66.86%), H (8.27%), B (3.17%), N (12.31%), S (9.39%)

Molar Mass: 341.32

Atom Count: 52

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	341.209699
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OUUGAJGZSTYIBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.29
Topological Polar Surface Area	28.27
Polarizability	39.77
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H28BN3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00