536981-21-2
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C19 H17 Br N2 O4 S
MolWeight
449.323
1Identification
【Name】
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03573585
【English Synonyms】
BENZOIC ACID, 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
【Formula】
C19 H17 Br N2 O4 S
【MolWeight】
449.323
【Inchi】
InChI=1S/C19H17BrN2O4S/c1-11-14(18(24)25)4-3-5-15(11)21-19(27)22-17(23)9-6-12-10-13(20)7-8-16(12)26-2/h3-10H,1-2H3,(H,24,25)(H2,21,22,23,27)/b9-6+
【InChIKey】
InChIKey=RMKVOZVJVAMMFZ-RMKNXTFCSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)/C=C/c2cc(ccc2OC)Br)C(=O)O
【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
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U77117 nullnull
Country/Region:United States
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Catalog No:U77117 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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