461402-48-2
4-METHYL-3-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-METHYL-3-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H18 N2 O4 S
MolWeight
358.416
1Identification
【Name】
4-METHYL-3-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03244419
【English Synonyms】
【Formula】
C18 H18 N2 O4 S
【MolWeight】
358.416
【Inchi】
InChI=1S/C18H18N2O4S/c1-11-4-3-5-14(8-11)24-10-16(21)20-18(25)19-15-9-13(17(22)23)7-6-12(15)2/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=UVAJNXUWBBALAA-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)OCC(=O)NC(=S)Nc2cc(ccc2C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-3-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80099 nullnull
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Catalog No:U80099 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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