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2168206-78-6 | 3-ethynyl-1λ⁶-thietane-1,1-dione
CAS No: 2168206-78-6 Catalog No: AG01FLD5 MDL No:
Product Description
Catalog Number:
AG01FLD5
Chemical Name:
3-ethynyl-1λ⁶-thietane-1,1-dione
CAS Number:
2168206-78-6
IUPAC Name:
3-ethynylthietane 1,1-dioxide
InChI:
InChI=1S/C5H6O2S/c1-2-5-3-8(6,7)4-5/h1,5H,3-4H2
InChI Key:
WWWXHHGHDCIGEG-UHFFFAOYSA-N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.161g/mol
Monoisotopic Mass:
130.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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