535948-63-1
5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H19 Cl N2 O3 S
MolWeight
402.9
1Identification
【Name】
5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572077
【English Synonyms】
BENZOIC ACID, 5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-
【Formula】
C20 H19 Cl N2 O3 S
【MolWeight】
402.9
【Inchi】
InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-17-9-8-15(21)11-16(17)19(25)26/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+
【InChIKey】
InChIKey=NONPWRWFENOQFC-BJMVGYQFSA-N
【SMILES】
CC(C)c1ccc(cc1)/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
TOP Suppliers
AsisChem, Inc.
Catalog No:U79102 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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Catalog No:U79102 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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