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289-70-3 | 4H-Thiopyran
CAS No: 289-70-3 Catalog No: AG002WZI MDL No:
Product Description
Catalog Number:
AG002WZI
Chemical Name:
4H-Thiopyran
CAS Number:
289-70-3
Molecular Formula:
C5H6S
Molecular Weight:
98.1661
IUPAC Name:
4H-thiopyran
InChI:
InChI=1S/C5H6S/c1-2-4-6-5-3-1/h2-5H,1H2
InChI Key:
STBGWNRZMPCVTG-UHFFFAOYSA-N
SMILES:
C1C=CSC=C1
Properties
Complexity:
71.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.019g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.163g/mol
Monoisotopic Mass:
98.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Hydride dissociation energies of six-membered heterocyclic organic hydrides predicted by ONIOM-G4Method. | Journal of chemical information and modeling 20120123 |
| Ionic liquid promoted preparation of 4H-thiopyran and pyrimidine nucleoside-thiopyran hybrids through one-pot multi-component reaction of thioamide. | Molecular diversity 20090201 |
| Novel synthesis of 1,3,4-thiadiazine derivatives and their cycloaddition reactions. | Archiv der Pharmazie 20061101 |
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