N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

Formula: C12H11N3O3S2

SMILES: CCSC1=NN=C(NC(=O)C2=CC=C3OCOC3=C2)S1

IUPAC: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

InChI: InChI=1S/C12H11N3O3S2/c1-2-19-12-15-14-11(20-12)13-10(16)7-3-4-8-9(5-7)18-6-17-8/h3-5H,2,6H2,1H3,(H,13,14,16)

Composition: C (46.59%), H (3.58%), N (13.58%), O (15.52%), S (20.73%)

Molar Mass: 309.36

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	309.024183574
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SWDXPWMOFLCDHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.19
Topological Polar Surface Area	73.34
Polarizability	29.21
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H11N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00