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88423-59-0 | Thiazolidine, 2,2-dimethyl-5-pentyl-4-phenyl-, trans-
CAS No: 88423-59-0 Catalog No: AG004HTL MDL No:
Product Description
Catalog Number:
AG004HTL
Chemical Name:
Thiazolidine, 2,2-dimethyl-5-pentyl-4-phenyl-, trans-
CAS Number:
88423-59-0
Molecular Formula:
C16H25NS
Molecular Weight:
263.4414
IUPAC Name:
(4S,5S)-2,2-dimethyl-5-pentyl-4-phenyl-1,3-thiazolidine
InChI:
InChI=1S/C16H25NS/c1-4-5-7-12-14-15(17-16(2,3)18-14)13-10-8-6-9-11-13/h6,8-11,14-15,17H,4-5,7,12H2,1-3H3/t14-,15-/m0/s1
InChI Key:
AGJZUPOYEJBKNJ-GJZGRUSLSA-N
SMILES:
CCCCC[C@@H]1SC(N[C@H]1c1ccccc1)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
263.171g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.443g/mol
Monoisotopic Mass:
263.171g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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