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472996-16-0 | 2H-Imidazole-2-thione,4-ethyl-1,3-dihydro-5-(phenylmethyl)-(9CI)
CAS No: 472996-16-0 Catalog No: AG00DX6Y MDL No:
Product Description
Catalog Number:
AG00DX6Y
Chemical Name:
2H-Imidazole-2-thione,4-ethyl-1,3-dihydro-5-(phenylmethyl)-(9CI)
CAS Number:
472996-16-0
IUPAC Name:
4-benzyl-5-ethyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C12H14N2S/c1-2-10-11(14-12(15)13-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,15)
InChI Key:
VRZDPDURLCWCEL-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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