5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine

Formula: C12H15N3OS

SMILES: CCCCOC1=CC=C(C=C1)C1=NN=C(N)S1

IUPAC: 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine

InChI: InChI=1S/C12H15N3OS/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15)

Composition: C (57.81%), H (6.06%), N (16.85%), O (6.42%), S (12.86%)

Molar Mass: 249.33

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.093583289
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OACLVJZGKWIEAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81
Topological Polar Surface Area	61.03
Polarizability	26.69
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H15N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00