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83670-18-2 | 4H-Thiopyran, 2,6-bis(1,1-dimethylethyl)-4-[(1-ethoxyethoxy)methyl]-
CAS No: 83670-18-2 Catalog No: AG004Y1R MDL No:
Product Description
Catalog Number:
AG004Y1R
Chemical Name:
4H-Thiopyran, 2,6-bis(1,1-dimethylethyl)-4-[(1-ethoxyethoxy)methyl]-
CAS Number:
83670-18-2
Molecular Formula:
C18H32O2S
Molecular Weight:
312.5105
IUPAC Name:
2,6-ditert-butyl-4-(1-ethoxyethoxymethyl)-4H-thiopyran
InChI:
InChI=1S/C18H32O2S/c1-9-19-13(2)20-12-14-10-15(17(3,4)5)21-16(11-14)18(6,7)8/h10-11,13-14H,9,12H2,1-8H3
InChI Key:
TZQQRJDSCAMWHI-UHFFFAOYSA-N
SMILES:
CCOC(OCC1C=C(SC(=C1)C(C)(C)C)C(C)(C)C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.212g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.512g/mol
Monoisotopic Mass:
312.212g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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