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83670-19-3 | 4H-Thiopyran-4-methanol, 2,6-bis(1,1-dimethylethyl)-
CAS No: 83670-19-3 Catalog No: AG004Y1Q MDL No:
Product Description
Catalog Number:
AG004Y1Q
Chemical Name:
4H-Thiopyran-4-methanol, 2,6-bis(1,1-dimethylethyl)-
CAS Number:
83670-19-3
Molecular Formula:
C14H24OS
Molecular Weight:
240.4048
IUPAC Name:
(2,6-ditert-butyl-4H-thiopyran-4-yl)methanol
InChI:
InChI=1S/C14H24OS/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8,10,15H,9H2,1-6H3
InChI Key:
ZKLUKKAXSGRFDF-UHFFFAOYSA-N
SMILES:
OCC1C=C(SC(=C1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.155g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.405g/mol
Monoisotopic Mass:
240.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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