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Home > Other Heterocycles > 89637-33-2
89637-33-2 | Phosphonium, 1,5-dithiaspiro[5.5]undec-8-yltriphenyl-, perchlorate
CAS No: 89637-33-2 Catalog No: AG005OD8 MDL No:
Product Description
Catalog Number:
AG005OD8
Chemical Name:
Phosphonium, 1,5-dithiaspiro[5.5]undec-8-yltriphenyl-, perchlorate
CAS Number:
89637-33-2
Molecular Formula:
C27H30ClO4PS2
Molecular Weight:
549.0815
IUPAC Name:
1,5-dithiaspiro[5.5]undecan-10-yl(triphenyl)phosphanium;perchlorate
InChI:
InChI=1S/C27H30PS2.ClHO4/c1-4-12-23(13-5-1)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-19-27(22-26)29-20-11-21-30-27;2-1(3,4)5/h1-9,12-17,26H,10-11,18-22H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
HZYIKKJCTIRYTE-UHFFFAOYSA-M
SMILES:
C1CSC2(SC1)CCCC(C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.101g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
549.077g/mol
Monoisotopic Mass:
548.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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