1-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-(thiophen-2-ylmethylidene)amino]methanimidamide

1-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-(thiophen-2-ylmethylidene)amino]methanimidamide

Formula: C16H13BrN4O2S2

SMILES: BrC1=CC=C(C=C1)N1C(=O)CC(SC(=N)NN=CC2=CC=CS2)C1=O

IUPAC: 1-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-[(thiophen-2-yl)methylidene]amino]methanimidamide

InChI: InChI=1/C16H13BrN4O2S2/c17-10-3-5-11(6-4-10)21-14(22)8-13(15(21)23)25-16(18)20-19-9-12-2-1-7-24-12/h1-7,9,13H,8H2,(H2,18,20)/b19-9+

Composition: C (43.94%), H (3.00%), Br (18.27%), N (12.81%), O (7.32%), S (14.66%)

Molar Mass: 437.33

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	435.966331
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QAAFWTVWOCRMTO-DJKKODMXNA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.26
Topological Polar Surface Area	85.62
Polarizability	38.75
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13BrN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00