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142286-43-9 | Oxirane, 2-[(phenylthio)methyl]-3-propyl-
CAS No: 142286-43-9 Catalog No: AG001I4D MDL No:
Product Description
Catalog Number:
AG001I4D
Chemical Name:
Oxirane, 2-[(phenylthio)methyl]-3-propyl-
CAS Number:
142286-43-9
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
2-(phenylsulfanylmethyl)-3-propyloxirane
InChI:
InChI=1S/C12H16OS/c1-2-6-11-12(13-11)9-14-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3
InChI Key:
KQUNBWKILNKIKZ-UHFFFAOYSA-N
SMILES:
CCCC1OC1CSc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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