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82100-27-4 | Ethanone, 2-(2-imidazolidinylidene)-1-(2-thienyl)-
CAS No: 82100-27-4 Catalog No: AG005AW7 MDL No:
Product Description
Catalog Number:
AG005AW7
Chemical Name:
Ethanone, 2-(2-imidazolidinylidene)-1-(2-thienyl)-
CAS Number:
82100-27-4
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
IUPAC Name:
2-imidazolidin-2-ylidene-1-thiophen-2-ylethanone
InChI:
InChI=1S/C9H10N2OS/c12-7(8-2-1-5-13-8)6-9-10-3-4-11-9/h1-2,5-6,10-11H,3-4H2
InChI Key:
OLEHHXQABMWCGI-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)C=C1NCCN1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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