535979-18-1
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C12 H12 Cl I N2 O3 S
MolWeight
426.657
1Identification
【Name】
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03573217
【English Synonyms】
【Formula】
C12 H12 Cl I N2 O3 S
【MolWeight】
426.657
【Inchi】
InChI=1S/C12H12ClIN2O3S/c13-5-1-2-10(17)16-12(20)15-9-4-3-7(14)6-8(9)11(18)19/h3-4,6H,1-2,5H2,(H,18,19)(H2,15,16,17,20)
【InChIKey】
InChIKey=COEGQWGVMFDCGJ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1I)C(=O)O)NC(=S)NC(=O)CCCCl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U85482 nullnull
Country/Region:United States
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Catalog No:U85482 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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