518349-70-7
6-(5-(4-TERT-BUTYLBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID
Name
6-(5-(4-TERT-BUTYLBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID
Formula
C20 H25 N O3 S2
MolWeight
391.553
1Identification
【Name】
6-(5-(4-TERT-BUTYLBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID
【CAS】
【MDL】
MFCD05721140
【English Synonyms】
【Formula】
C20 H25 N O3 S2
【MolWeight】
391.553
【Inchi】
InChI=1S/C20H25NO3S2/c1-20(2,3)15-10-8-14(9-11-15)13-16-18(24)21(19(25)26-16)12-6-4-5-7-17(22)23/h8-11,13H,4-7,12H2,1-3H3,(H,22,23)/b16-13+
【InChIKey】
InChIKey=HVWOPZUDFYNAFC-DTQAZKPQSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(5-(4-TERT-BUTYLBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID.cml
Quick Release
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Sigma-Aldrich Corporation
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Catalog No:L469386-1EA 25MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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