532415-68-2
3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C21 H24 N2 O4 S
MolWeight
400.497
1Identification
【Name】
3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569709
【English Synonyms】
【Formula】
C21 H24 N2 O4 S
【MolWeight】
400.497
【Inchi】
InChI=1S/C21H24N2O4S/c1-2-3-4-5-13-27-18-11-9-15(10-12-18)19(24)23-21(28)22-17-8-6-7-16(14-17)20(25)26/h6-12,14H,2-5,13H2,1H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=SORUALDPNJZKOJ-UHFFFAOYSA-N
【SMILES】
CCCCCCOc1ccc(cc1)C(=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-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U83482 nullnull
Country/Region:United States
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Catalog No:U83482 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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