535979-38-5
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C21 H24 N2 O4 S
MolWeight
400.497
1Identification
【Name】
3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03573234
【English Synonyms】
【Formula】
C21 H24 N2 O4 S
【MolWeight】
400.497
【Inchi】
InChI=1S/C21H24N2O4S/c1-13-16(19(25)26)6-5-7-17(13)22-20(28)23-18(24)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=DJRNSPNTUYDHRC-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)COc2ccc(cc2)C(C)(C)C)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]-2-METHYL-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U87600 nullnull
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Catalog No:U87600 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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