532949-19-2
3,5-DIBROMO-2-[[[(3-METHYL-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(3-METHYL-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C13 H14 Br2 N2 O3 S
MolWeight
438.139
1Identification
【Name】
3,5-DIBROMO-2-[[[(3-METHYL-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573909
【English Synonyms】
【Formula】
C13 H14 Br2 N2 O3 S
【MolWeight】
438.139
【Inchi】
InChI=1S/C13H14Br2N2O3S/c1-6(2)3-10(18)16-13(21)17-11-8(12(19)20)4-7(14)5-9(11)15/h4-6H,3H2,1-2H3,(H,19,20)(H2,16,17,18,21)
【InChIKey】
InChIKey=IGOVZDFALGTTIR-UHFFFAOYSA-N
【SMILES】
CC(C)CC(=O)NC(=S)Nc1c(cc(cc1Br)Br)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
3,5-DIBROMO-2-[[[(3-METHYL-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U87015 nullnull
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Catalog No:U87015 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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