535978-71-3
5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H13 I N2 O4 S
MolWeight
456.255
1Identification
【Name】
5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573174
【English Synonyms】
【Formula】
C16 H13 I N2 O4 S
【MolWeight】
456.255
【Inchi】
InChI=1S/C16H13IN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-13-6-5-10(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)
【InChIKey】
InChIKey=JUGKJUPLHKOEIC-UHFFFAOYSA-N
【SMILES】
COc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【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
5-IODO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U84631 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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