Cas no 16950-02-0 (Tin,(2,2'-bipyridine-N,N')diethylbis(thiocyanato-N)- (9CI))

Tin,(2,2'-bipyridine-N,N')diethylbis(thiocyanato-N)- (9CI) structure
16950-02-0 structure
Product Name:Tin,(2,2'-bipyridine-N,N')diethylbis(thiocyanato-N)- (9CI)
CAS No:16950-02-0
MF:C8H18N2O4S
MW:238.304521083832
CID:187219
Update Time:2024-01-25

Tin,(2,2'-bipyridine-N,N')diethylbis(thiocyanato-N)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Tin,(2,2'-bipyridine-N,N')diethylbis(thiocyanato-N)- (9CI)
    • Tin diethyl diisothiocyanate-2,2'-dipyridine
    • Inchi: 1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
    • InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N
    • SMILES: C(S(O)(=O)=O)CN1CCN(CCO)CC1

Computed Properties

  • Exact Mass: 448.04952
  • Monoisotopic Mass: 456.046435
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 248
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 51.6

Experimental Properties

  • Boiling Point: 311.4°C at 760 mmHg
  • Flash Point: 189.6°C
  • PSA: 72.8
  • LogP: 4.17380
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