531529-08-5
2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
pro_formulaC18 H17 I N2 O4 S
1Identification
【Name】
2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565970
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 I N2 O4 S
【pro_molWeight】
484.308
【Inchi】
InChI=1S/C18H17IN2O4S/c1-2-11-3-6-13(7-4-11)25-10-16(22)21-18(26)20-15-8-5-12(19)9-14(15)17(23)24/h3-9H,2,10H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=SISSULWKFZIIIB-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【MOL File】
2-[[[[(4-ETHYLPHENOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml