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30740-41-1 | 4-Imidazolidinone, 3-phenyl-5-[(2-propen-1-ylthio)methyl]-2-thioxo-
CAS No: 30740-41-1 Catalog No: AG00314M MDL No:
Product Description
Catalog Number:
AG00314M
Chemical Name:
4-Imidazolidinone, 3-phenyl-5-[(2-propen-1-ylthio)methyl]-2-thioxo-
CAS Number:
30740-41-1
Molecular Formula:
C13H14N2OS2
Molecular Weight:
278.3931
IUPAC Name:
3-phenyl-5-(prop-2-enylsulfanylmethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H14N2OS2/c1-2-8-18-9-11-12(16)15(13(17)14-11)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,17)
InChI Key:
JWJZFALKEVXYTC-UHFFFAOYSA-N
SMILES:
C=CCSCC1NC(=S)N(C1=O)c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.388g/mol
Monoisotopic Mass:
278.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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