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156222-91-2 | 2-Pentanone, 1,1'-thiobis[4,4-dimethyl-
CAS No: 156222-91-2 Catalog No: AG001OLR MDL No:
Product Description
Catalog Number:
AG001OLR
Chemical Name:
2-Pentanone, 1,1'-thiobis[4,4-dimethyl-
CAS Number:
156222-91-2
Molecular Formula:
C14H26O2S
Molecular Weight:
258.4200
IUPAC Name:
1-(4,4-dimethyl-2-oxopentyl)sulfanyl-4,4-dimethylpentan-2-one
InChI:
InChI=1S/C14H26O2S/c1-13(2,3)7-11(15)9-17-10-12(16)8-14(4,5)6/h7-10H2,1-6H3
InChI Key:
QHJSSEGIQKBMMF-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)CSCC(=O)CC(C)(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.165g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.42g/mol
Monoisotopic Mass:
258.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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