536979-03-0
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C21 H24 N2 O4 S
MolWeight
400.497
1Identification
【Name】
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573482
【English Synonyms】
【Formula】
C21 H24 N2 O4 S
【MolWeight】
400.497
【Inchi】
InChI=1S/C21H24N2O4S/c1-2-3-4-7-14-27-16-12-10-15(11-13-16)19(24)23-21(28)22-18-9-6-5-8-17(18)20(25)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=ODNFKZGAPNSCNW-UHFFFAOYSA-N
【SMILES】
CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccccc2C(=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
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U87864 nullnull
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Catalog No:U87864 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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