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18391-77-0

18391-77-0 | 4-Imidazolidinone, 1-methyl-3-phenyl-2-thioxo-

CAS No: 18391-77-0 Catalog No: AG00I1FT MDL No:MFCD00464059

Product Description

Catalog Number:
AG00I1FT
Chemical Name:
4-Imidazolidinone, 1-methyl-3-phenyl-2-thioxo-
CAS Number:
18391-77-0
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD00464059
IUPAC Name:
1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C10H10N2OS/c1-11-7-9(13)12(10(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
OADQZAOQKGDEEA-UHFFFAOYSA-N
SMILES:
O=C1CN(C(=S)N1c1ccccc1)C

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design, synthesis, and biological evaluation of thio-containing compounds with serum HDL-cholesterol-elevating properties. Journal of medicinal chemistry 20040129

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