533922-34-8
3,5-DIIODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C14 H16 I2 N2 O3 S
MolWeight
546.157
1Identification
【Name】
3,5-DIIODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569160
【English Synonyms】
【Formula】
C14 H16 I2 N2 O3 S
【MolWeight】
546.157
【Inchi】
InChI=1S/C14H16I2N2O3S/c1-2-3-4-5-11(19)17-14(22)18-12-9(13(20)21)6-8(15)7-10(12)16/h6-7H,2-5H2,1H3,(H,20,21)(H2,17,18,19,22)
【InChIKey】
InChIKey=UCGNRJIDYQWPEF-UHFFFAOYSA-N
【SMILES】
CCCCCC(=O)NC(=S)Nc1c(cc(cc1I)I)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U89623 nullnull
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Catalog No:U89623 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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