4-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}benzoic acid

4-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}benzoic acid

Formula: C12H12Cl3N3O3S

SMILES: CC(=O)NC(NC(=S)NC1=CC=C(C=C1)C(O)=O)C(Cl)(Cl)Cl

IUPAC: 4-{[(2,2,2-trichloro-1-acetamidoethyl)carbamothioyl]amino}benzoic acid

InChI: InChI=1/C12H12Cl3N3O3S/c1-6(19)16-10(12(13,14)15)18-11(22)17-8-4-2-7(3-5-8)9(20)21/h2-5,10H,1H3,(H,16,19)(H,20,21)(H2,17,18,22)

Composition: C (37.47%), H (3.14%), Cl (27.65%), N (10.92%), O (12.48%), S (8.33%)

Molar Mass: 384.66

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	382.9664955
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
InChIKey	VZCJBBLUDCCECI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.83
Topological Polar Surface Area	90.46
Polarizability	34.5
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H12Cl3N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00