2-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

2-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

CAS: 874591-55-6

Formula: C11H11N5S

SMILES: CCC1=NN=C2SC(=NN12)C1=C(N)C=CC=C1

IUPAC: 2-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

InChI: InChI=1S/C11H11N5S/c1-2-9-13-14-11-16(9)15-10(17-11)7-5-3-4-6-8(7)12/h3-6H,2,12H2,1H3

Composition: C (53.86%), H (4.52%), N (28.55%), S (13.07%)

Molar Mass: 245.3

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	245.073516548
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XMWXVAHGFYPRRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.69
Topological Polar Surface Area	69.1
Polarizability	25.26
Ring Count	3
Rotatable Bond Count	2

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	874591-55-6		$404.27$404.27