535948-69-7
3,5-DIBROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H16 Br2 N2 O4 S
MolWeight
516.208
1Identification
【Name】
3,5-DIBROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572082
【English Synonyms】
【Formula】
C18 H16 Br2 N2 O4 S
【MolWeight】
516.208
【Inchi】
InChI=1S/C18H16Br2N2O4S/c1-9(2)26-12-5-3-4-10(6-12)16(23)22-18(27)21-15-13(17(24)25)7-11(19)8-14(15)20/h3-9H,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=MBIRJYQCZWGJFI-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75276 nullnull
Country/Region:United States
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