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823816-07-5 | Acetonitrile, [1-[(2-iodo-5-thiazolyl)methyl]-2-imidazolidinylidene]-
CAS No: 823816-07-5 Catalog No: AG005C31 MDL No:
Product Description
Catalog Number:
AG005C31
Chemical Name:
Acetonitrile, [1-[(2-iodo-5-thiazolyl)methyl]-2-imidazolidinylidene]-
CAS Number:
823816-07-5
Molecular Formula:
C9H9IN4S
Molecular Weight:
332.1640
IUPAC Name:
2-[1-[(2-iodo-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]acetonitrile
InChI:
InChI=1S/C9H9IN4S/c10-9-13-5-7(15-9)6-14-4-3-12-8(14)1-2-11/h1,5,12H,3-4,6H2
InChI Key:
IHWXESKBSBCKKU-UHFFFAOYSA-N
SMILES:
Ic1ncc(s1)CN1CCNC1=CC#N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.959g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.163g/mol
Monoisotopic Mass:
331.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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