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Home > Pyridines > 189693-36-5
189693-36-5 | 4-Thiepanone, 3,3,6,6-tetramethyl-5-(3-pyridinyl)-
CAS No: 189693-36-5 Catalog No: AG002DWE MDL No:
Product Description
Catalog Number:
AG002DWE
Chemical Name:
4-Thiepanone, 3,3,6,6-tetramethyl-5-(3-pyridinyl)-
CAS Number:
189693-36-5
Molecular Formula:
C15H21NOS
Molecular Weight:
263.3983
IUPAC Name:
3,3,6,6-tetramethyl-5-pyridin-3-ylthiepan-4-one
InChI:
InChI=1S/C15H21NOS/c1-14(2)9-18-10-15(3,4)13(17)12(14)11-6-5-7-16-8-11/h5-8,12H,9-10H2,1-4H3
InChI Key:
UMNIEOIFBMOPNG-UHFFFAOYSA-N
SMILES:
O=C1C(c2cccnc2)C(C)(C)CSCC1(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.399g/mol
Monoisotopic Mass:
263.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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