535949-07-6
5-BROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H17 Br N2 O4 S
MolWeight
437.312
1Identification
【Name】
5-BROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572116
【English Synonyms】
【Formula】
C18 H17 Br N2 O4 S
【MolWeight】
437.312
【Inchi】
InChI=1S/C18H17BrN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-15-7-6-12(19)9-14(15)17(23)24/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=XBXPIVOBJOALJJ-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U84862 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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