535965-19-6
3-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
Name3-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
FormulaC16 H12 Cl2 N2 O3 S
1Identification
【Name】
3-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03572791
【English Synonyms】
【Formula】
C16 H12 Cl2 N2 O3 S
【MolWeight】
383.254
【Inchi】
InChI=1S/C16H12Cl2N2O3S/c1-8-5-6-9(15(22)23)7-12(8)19-16(24)20-14(21)10-3-2-4-11(17)13(10)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=FZQIONMHDJHSJP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)c2cccc(c2Cl)Cl)C(=O)O
【MOL File】
3-[[[(2,3-DICHLOROBE….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-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID.cml