586393-83-1
2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-BROMO-BENZOIC ACID
Name
2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-BROMO-BENZOIC ACID
Formula
C21 H15 Br N2 O3 S
MolWeight
455.331
1Identification
【Name】
2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-BROMO-BENZOIC ACID
【CAS】
【MDL】
MFCD03574811
【English Synonyms】
【Formula】
C21 H15 Br N2 O3 S
【MolWeight】
455.331
【Inchi】
InChI=1S/C21H15BrN2O3S/c22-16-10-11-18(17(12-16)20(26)27)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28)
【InChIKey】
InChIKey=ZRTHWFOFGCNHBW-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br
【MOL File】
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
2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-BROMO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U88748 nullnull
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Catalog No:U88748 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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