3-{5-[(E)-[(carbamothioylamino)imino]methyl]furan-2-yl}-4-chlorobenzoic acid

3-{5-[(E)-[(carbamothioylamino)imino]methyl]furan-2-yl}-4-chlorobenzoic acid

Formula: C13H10ClN3O3S

SMILES: NC(=S)NN=CC1=CC=C(O1)C1=CC(=CC=C1Cl)C(O)=O

IUPAC: 3-{5-[(E)-[(carbamothioylamino)imino]methyl]furan-2-yl}-4-chlorobenzoic acid

InChI: InChI=1S/C13H10ClN3O3S/c14-10-3-1-7(12(18)19)5-9(10)11-4-2-8(20-11)6-16-17-13(15)21/h1-6H,(H,18,19)(H3,15,17,21)/b16-6+

Composition: C (48.23%), H (3.11%), Cl (10.95%), N (12.98%), O (14.83%), S (9.90%)

Molar Mass: 323.75

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.0131401
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	ZVWAWSPWVCDCIL-OMCISZLKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.7
Topological Polar Surface Area	100.85
Polarizability	32.49
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H10ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00