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2935-95-7 | 2-Thietanone
CAS No: 2935-95-7 Catalog No: AG002Y5C MDL No:
Product Description
Catalog Number:
AG002Y5C
Chemical Name:
2-Thietanone
CAS Number:
2935-95-7
Molecular Formula:
C3H4OS
Molecular Weight:
88.1283
IUPAC Name:
thietan-2-one
InChI:
InChI=1S/C3H4OS/c4-3-1-2-5-3/h1-2H2
InChI Key:
KYSLXZJXRBTXDF-UHFFFAOYSA-N
SMILES:
C1CSC1=O
Properties
Complexity:
59.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.998g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
88.124g/mol
Monoisotopic Mass:
87.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A novel route to fully substituted 1H-pyrazoles. | The Journal of organic chemistry 20051014 |
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