ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate

ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate

Formula: C16H19N3O3S3

SMILES: CCOC(=O)C1=CC=C(NC(=O)C(CC)SC2=NC(SC)=NS2)C=C1

IUPAC: ethyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanamido)benzoate

InChI: InChI=1/C16H19N3O3S3/c1-4-12(24-16-18-15(23-3)19-25-16)13(20)17-11-8-6-10(7-9-11)14(21)22-5-2/h6-9,12H,4-5H2,1-3H3,(H,17,20)

Composition: C (48.34%), H (4.82%), N (10.57%), O (12.07%), S (24.19%)

Molar Mass: 397.53

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	397.058855006
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IQYHBHPXYLPEPC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.32
Topological Polar Surface Area	81.18
Polarizability	39.73
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H19N3O3S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00