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17396-36-0 | 4H-Thiopyran-4-one, tetrahydro-, 1-oxide
CAS No: 17396-36-0 Catalog No: AG001ZC3 MDL No:MFCD03426617
Product Description
Catalog Number:
AG001ZC3
Chemical Name:
4H-Thiopyran-4-one, tetrahydro-, 1-oxide
CAS Number:
17396-36-0
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
MDL Number:
MFCD03426617
IUPAC Name:
1-oxothian-4-one
InChI:
InChI=1S/C5H8O2S/c6-5-1-3-8(7)4-2-5/h1-4H2
InChI Key:
CZSXIGLHRRJGPZ-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)CC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.177g/mol
Monoisotopic Mass:
132.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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