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152877-66-2 | (5-METHYLSELANYL-2-PHENYL-THIAZOL-4-YL)TRIPHENYLPHOSPHONIUM IODIDE
CAS No: 152877-66-2 Catalog No: AG007JC4 MDL No:
Product Description
Catalog Number:
AG007JC4
Chemical Name:
(5-METHYLSELANYL-2-PHENYL-THIAZOL-4-YL)TRIPHENYLPHOSPHONIUM IODIDE
CAS Number:
152877-66-2
Molecular Formula:
C28H23INPSSe
Molecular Weight:
642.3922
IUPAC Name:
(5-methylselanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C28H23NPSSe.HI/c1-32-28-26(29-27(31-28)22-14-6-2-7-15-22)30(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1
InChI Key:
SSDYLVZANNHWLI-UHFFFAOYSA-M
SMILES:
C[Se]c1sc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.95g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
642.408g/mol
Monoisotopic Mass:
642.95g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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