1-{[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-(thiophen-2-ylmethylidene)amino]methanimidamide

1-{[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-(thiophen-2-ylmethylidene)amino]methanimidamide

Formula: C16H12Cl2N4O2S2

SMILES: ClC1=CC=C(Cl)C(=C1)N1C(=O)CC(SC(=N)NN=CC2=CC=CS2)C1=O

IUPAC: 1-{[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-[(thiophen-2-yl)methylidene]amino]methanimidamide

InChI: InChI=1/C16H12Cl2N4O2S2/c17-9-3-4-11(18)12(6-9)22-14(23)7-13(15(22)24)26-16(19)21-20-8-10-2-1-5-25-10/h1-6,8,13H,7H2,(H2,19,21)/b20-8+

Composition: C (44.97%), H (2.83%), Cl (16.59%), N (13.11%), O (7.49%), S (15.01%)

Molar Mass: 427.32

Atom Count: 38

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	425.9778734
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZXIUFGOSJPCVKI-DNTJNYDQNA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.25
Topological Polar Surface Area	85.62
Polarizability	39.75
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12Cl2N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00