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Home > Imidazoles > 211488-79-8
211488-79-8 | Benzonitrile, 4-(2-thioxo-1-imidazolidinyl)-
CAS No: 211488-79-8 Catalog No: AG007OXE MDL No:
Product Description
Catalog Number:
AG007OXE
Chemical Name:
Benzonitrile, 4-(2-thioxo-1-imidazolidinyl)-
CAS Number:
211488-79-8
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
IUPAC Name:
4-(2-sulfanylideneimidazolidin-1-yl)benzonitrile
InChI:
InChI=1S/C10H9N3S/c11-7-8-1-3-9(4-2-8)13-6-5-12-10(13)14/h1-4H,5-6H2,(H,12,14)
InChI Key:
MMFKGKGVBSQAOC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCNC1=S
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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