536983-75-2
3,5-DICHLORO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DICHLORO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC17 H9 Cl3 N2 O3 S2
1Identification
【Name】
3,5-DICHLORO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573663
【English Synonyms】
【Formula】
C17 H9 Cl3 N2 O3 S2
【MolWeight】
459.76
【Inchi】
InChI=1S/C17H9Cl3N2O3S2/c18-7-5-9(16(24)25)13(10(19)6-7)21-17(26)22-15(23)14-12(20)8-3-1-2-4-11(8)27-14/h1-6H,(H,24,25)(H2,21,22,23,26)
【InChIKey】
InChIKey=YDKWTBFQGRTLLC-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(c(s2)C(=O)NC(=S)Nc3c(cc(cc3Cl)Cl)C(=O)O)Cl
【MOL File】
3,5-DICHLORO-2-[[[[(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DICHLORO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml