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121564-27-0 | Propane, 1-(ethynylsulfinyl)-
CAS No: 121564-27-0 Catalog No: AG0015AJ MDL No:
Product Description
Catalog Number:
AG0015AJ
Chemical Name:
Propane, 1-(ethynylsulfinyl)-
CAS Number:
121564-27-0
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
IUPAC Name:
1-ethynylsulfinylpropane
InChI:
InChI=1S/C5H8OS/c1-3-5-7(6)4-2/h2H,3,5H2,1H3
InChI Key:
OXLSTZIMSSWILC-UHFFFAOYSA-N
SMILES:
CCCS(=O)C#C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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