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162150-91-6

162150-91-6 | 4-Imidazolidinone, 3-butyl-2-thioxo-

CAS No: 162150-91-6 Catalog No: AG001SST MDL No:MFCD04967166

Product Description

Catalog Number:
AG001SST
Chemical Name:
4-Imidazolidinone, 3-butyl-2-thioxo-
CAS Number:
162150-91-6
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD04967166
IUPAC Name:
3-butyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H12N2OS/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChI Key:
JIPAXYGBULGOLF-UHFFFAOYSA-N
SMILES:
CCCCN1C(=S)NCC1=O

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Substituted 2-thioxoimidazolidin-4-ones and imidazolidine-2,4-diones as fatty acid amide hydrolase inhibitors templates. Journal of medicinal chemistry 20060112

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