532939-85-8
2-[[[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name
2-[[[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula
C13 H14 I2 N2 O3 S
MolWeight
532.131
1Identification
【Name】
2-[[[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03568685
【English Synonyms】
【Formula】
C13 H14 I2 N2 O3 S
【MolWeight】
532.131
【Inchi】
InChI=1S/C13H14I2N2O3S/c1-13(2,3)11(20)17-12(21)16-9-7(10(18)19)4-6(14)5-8(9)15/h4-5H,1-3H3,(H,18,19)(H2,16,17,20,21)
【InChIKey】
InChIKey=CGLADTNUTWLSHK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=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
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml
Quick Release
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Catalog No:U81671 nullnull
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Catalog No:U81671 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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