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76621-83-5 | (5-ETHYLSULFANYL-2-PHENYL-THIAZOL-4-YL)TRIPHENYLPHOSPHONIUM IODIDE
CAS No: 76621-83-5 Catalog No: AG005APJ MDL No:
Product Description
Catalog Number:
AG005APJ
Chemical Name:
(5-ETHYLSULFANYL-2-PHENYL-THIAZOL-4-YL)TRIPHENYLPHOSPHONIUM IODIDE
CAS Number:
76621-83-5
Molecular Formula:
C29H25INPS2
Molecular Weight:
609.5237
IUPAC Name:
(5-ethylsulfanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C29H25NPS2.HI/c1-2-32-29-27(30-28(33-29)23-15-7-3-8-16-23)31(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,2H2,1H3;1H/q+1;/p-1
InChI Key:
RGVNKJORYPXAPJ-UHFFFAOYSA-M
SMILES:
CCSc1sc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
609.021g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.524g/mol
Monoisotopic Mass:
609.021g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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