3-(1,1-dioxo-1??-thiolan-3-yl)-1-(2-{[(1,1-dioxo-1??-thiolan-3-yl)carbamothioyl]amino}ethyl)thiourea

3-(1,1-dioxo-1??-thiolan-3-yl)-1-(2-{[(1,1-dioxo-1??-thiolan-3-yl)carbamothioyl]amino}ethyl)thiourea

Formula: C12H22N4O4S4

SMILES: O=S1(=O)CCC(C1)NC(=S)NCCNC(=S)NC1CCS(=O)(=O)C1

IUPAC: 3-(1,1-dioxo-1??-thiolan-3-yl)-1-(2-{[(1,1-dioxo-1??-thiolan-3-yl)carbamothioyl]amino}ethyl)thiourea

InChI: InChI=1/C12H22N4O4S4/c17-23(18)5-1-9(7-23)15-11(21)13-3-4-14-12(22)16-10-2-6-24(19,20)8-10/h9-10H,1-8H2,(H2,13,15,21)(H2,14,16,22)

Composition: C (34.77%), H (5.35%), N (13.51%), O (15.44%), S (30.93%)

Molar Mass: 414.57

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	414.0523899
Formal Charge	0
FSP3	0.83
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	MJLXKAMSPMPDRF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.99
Topological Polar Surface Area	116.4
Polarizability	41.22
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H22N4O4S4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00