532416-55-0
5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H19 Br N2 O3 S
MolWeight
435.34
1Identification
【Name】
5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569754
【English Synonyms】
【Formula】
C19 H19 Br N2 O3 S
【MolWeight】
435.34
【Inchi】
InChI=1S/C19H19BrN2O3S/c1-19(2,3)12-6-4-11(5-7-12)16(23)22-18(26)21-15-9-8-13(20)10-14(15)17(24)25/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26)
【InChIKey】
InChIKey=CSEDOCQNDPMCCQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=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
5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U85875 nullnull
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Catalog No:U85875 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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