532938-61-7
3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H20 Br2 N2 O4 S
MolWeight
544.262
1Identification
【Name】
3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568577
【English Synonyms】
BENZOIC ACID, 3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-
【Formula】
C20 H20 Br2 N2 O4 S
【MolWeight】
544.262
【Inchi】
InChI=1S/C20H20Br2N2O4S/c1-10(2)13-5-4-11(3)6-16(13)28-9-17(25)23-20(29)24-18-14(19(26)27)7-12(21)8-15(18)22/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=IMLNFWOXRGTSRO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
TOP Suppliers
AsisChem, Inc.
Catalog No:U75170 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
More 532938-61-7 Suppliers>>
Catalog No:U75170 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
More 532938-61-7 Suppliers>>