533922-53-1
2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C18 H17 I N2 O4 S
MolWeight
484.308
1Identification
【Name】
2-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569180
【English Synonyms】
【Formula】
C18 H17 I N2 O4 S
【MolWeight】
484.308
【Inchi】
InChI=1S/C18H17IN2O4S/c1-10-5-11(2)7-13(6-10)25-9-16(22)21-18(26)20-15-4-3-12(19)8-14(15)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=DYXXNAAMRZAUJD-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I)C
【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-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80825 nullnull
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Catalog No:U80825 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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