532950-73-5
3,5-DIBROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H18 Br2 N2 O3 S
MolWeight
514.236
1Identification
【Name】
3,5-DIBROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574054
【English Synonyms】
【Formula】
C19 H18 Br2 N2 O3 S
【MolWeight】
514.236
【Inchi】
InChI=1S/C19H18Br2N2O3S/c1-19(2,3)11-6-4-10(5-7-11)16(24)23-18(27)22-15-13(17(25)26)8-12(20)9-14(15)21/h4-9H,1-3H3,(H,25,26)(H2,22,23,24,27)
【InChIKey】
InChIKey=YBQBBRRYIMYIPV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)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:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U86444 nullnull
Country/Region:United States
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