532385-53-8
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C21 H23 I N2 O4 S
MolWeight
526.389
1Identification
【Name】
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569237
【English Synonyms】
【Formula】
C21 H23 I N2 O4 S
【MolWeight】
526.389
【Inchi】
InChI=1S/C21H23IN2O4S/c1-2-3-4-5-12-28-16-9-6-14(7-10-16)19(25)24-21(29)23-18-11-8-15(22)13-17(18)20(26)27/h6-11,13H,2-5,12H2,1H3,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=ZTDYCOXOVKYJPJ-UHFFFAOYSA-N
【SMILES】
CCCCCCOc1ccc(cc1)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
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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