532414-97-4
3,5-DICHLORO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DICHLORO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC19 H12 Cl2 N2 O3 S
1Identification
【Name】
3,5-DICHLORO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569678
【English Synonyms】
【Formula】
C19 H12 Cl2 N2 O3 S
【MolWeight】
419.287
【Inchi】
InChI=1S/C19H12Cl2N2O3S/c20-13-8-14(18(25)26)16(15(21)9-13)22-19(27)23-17(24)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,25,26)(H2,22,23,24,27)
【InChIKey】
InChIKey=VSVJYCBQMROSLA-UHFFFAOYSA-N
【SMILES】
c1ccc2cc(ccc2c1)C(=O)NC(=S)Nc3c(cc(cc3Cl)Cl)C(=O)O
【MOL File】
3,5-DICHLORO-2-[[[(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-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml