531519-95-6
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H22 N2 O4 S
MolWeight
386.47
1Identification
【Name】
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565785
【English Synonyms】
【Formula】
C20 H22 N2 O4 S
【MolWeight】
386.47
【Inchi】
InChI=1S/C20H22N2O4S/c1-20(2,3)14-7-9-16(10-8-14)26-12-17(23)22-19(27)21-15-6-4-5-13(11-15)18(24)25/h4-11H,12H2,1-3H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=KRGFJIXGZPLVLU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2cccc(c2)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-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U81665 nullnull
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Catalog No:U81665 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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