(2Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

(2Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Formula: C16H11Cl2N3O3S

SMILES: CC1=NN=C(N1)SC(=C/C1=CC=C(O1)C1=CC=CC(Cl)=C1Cl)C(O)=O

IUPAC: (2Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

InChI: InChI=1S/C16H11Cl2N3O3S/c1-8-19-16(21-20-8)25-13(15(22)23)7-9-5-6-12(24-9)10-3-2-4-11(17)14(10)18/h2-7H,1H3,(H,22,23)(H,19,20,21)/b13-7-

Composition: C (48.50%), H (2.80%), Cl (17.89%), N (10.60%), O (12.11%), S (8.09%)

Molar Mass: 396.24

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.9898178
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CAQQFMWRTPRRBC-QPEQYQDCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.83
Topological Polar Surface Area	92.01
Polarizability	38.16
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11Cl2N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00