532962-07-5
2-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H13 Cl N2 O3 S
1Identification
【Name】
2-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03242374
【English Synonyms】
【Formula】
C16 H13 Cl N2 O3 S
【MolWeight】
348.809
【Inchi】
InChI=1S/C16H13ClN2O3S/c1-9-6-7-10(8-12(9)17)14(20)19-16(23)18-13-5-3-2-4-11(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=AJXIEEYSGQMIQU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)C(=O)NC(=S)Nc2ccccc2C(=O)O
【MOL File】
2-[[[(3-CHLORO-4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(3-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml