sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(4-methylphenyl)-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

3-(4-methylphenyl)-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

CAS No.:
1008997-17-8
Catalog Number:
AG019IZV
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019IZV
Chemical Name:
3-(4-methylphenyl)-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one
CAS Number:
1008997-17-8
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
MDL Number:
MFCD03961605
IUPAC Name:
3-(4-methylphenyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H16N2OS/c1-8(2)11-12(16)15(13(17)14-11)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,17)
InChI Key:
URLRESQYWGFJPO-UHFFFAOYSA-N
SMILES:
CC(C1NC(=S)N(C1=O)c1ccc(cc1)C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties