2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazole

2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazole

Formula: C21H24N2OS3

SMILES: COC1=CC=C(CSC2=NN=C(SCC3=CC=C(C=C3)C(C)(C)C)S2)C=C1

IUPAC: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazole

InChI: InChI=1S/C21H24N2OS3/c1-21(2,3)17-9-5-15(6-10-17)13-25-19-22-23-20(27-19)26-14-16-7-11-18(24-4)12-8-16/h5-12H,13-14H2,1-4H3

Composition: C (60.54%), H (5.81%), N (6.72%), O (3.84%), S (23.09%)

Molar Mass: 416.62

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	416.105076923
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	COEBNXSXONQDDE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.31
Topological Polar Surface Area	35.01
Polarizability	46.08
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24N2OS3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00