531531-42-7
4-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H10 Cl I N2 O3 S
MolWeight
460.674
1Identification
【Name】
4-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566065
【English Synonyms】
【Formula】
C15 H10 Cl I N2 O3 S
【MolWeight】
460.674
【Inchi】
InChI=1S/C15H10ClIN2O3S/c16-12-6-3-9(17)7-11(12)13(20)19-15(23)18-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=XBBKULHSDWPVRQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)NC(=S)NC(=O)c2cc(ccc2Cl)I
【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
4-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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