530139-00-5
2-METHYL-3-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-METHYL-3-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
1Identification
【Name】
2-METHYL-3-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564407
【English Synonyms】
【Formula】
C19 H20 N2 O4 S
【MolWeight】
372.443
【Inchi】
InChI=1S/C19H20N2O4S/c1-3-11-25-14-9-7-13(8-10-14)17(22)21-19(26)20-16-6-4-5-15(12(16)2)18(23)24/h4-10H,3,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=CXQQLGAQFNJIHX-UHFFFAOYSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
2-METHYL-3-[[[(4-PRO….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
2-METHYL-3-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml