533922-31-5
4-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC19 H13 Cl N2 O4 S
1Identification
【Name】
4-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569158
【English Synonyms】
【Formula】
C19 H13 Cl N2 O4 S
【MolWeight】
400.841
【Inchi】
InChI=1S/C19H13ClN2O4S/c20-13-3-1-2-12(10-13)15-8-9-16(26-15)17(23)22-19(27)21-14-6-4-11(5-7-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=KOFCXMKYQLFVLS-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc(cc3)C(=O)O
【MOL File】
4-[[[[[5-(3-CHLOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml