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16047-97-5 | 1,3-Oxathiolane, 2,2-diethyl-
CAS No: 16047-97-5 Catalog No: AG001RY9 MDL No:
Product Description
Catalog Number:
AG001RY9
Chemical Name:
1,3-Oxathiolane, 2,2-diethyl-
CAS Number:
16047-97-5
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
2,2-diethyl-1,3-oxathiolane
InChI:
InChI=1S/C7H14OS/c1-3-7(4-2)8-5-6-9-7/h3-6H2,1-2H3
InChI Key:
BPFPHTXDPUIRPK-UHFFFAOYSA-N
SMILES:
CCC1(CC)OCCS1
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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