N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

Formula: C12H13N3OS

SMILES: CCCC(=O)NC1=NN=C(S1)C1=CC=CC=C1

IUPAC: N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

InChI: InChI=1S/C12H13N3OS/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)

Composition: C (58.28%), H (5.30%), N (16.99%), O (6.47%), S (12.96%)

Molar Mass: 247.32

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.077933225
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JKBHLSUUDWFAMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.06
Topological Polar Surface Area	54.88
Polarizability	26.1
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H13N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00