Basic information
- CAS
289-72-5- Standard SMILES
C1=CCSC=C1- InChIKey
QMDFJHAAWUGVKQ-UHFFFAOYSA-N- Molecular formula
- C5H6S
- Average molar mass
- 98.17 g/mol
- Monoisotopic mass
- 98.01902136
Overview
structure in first source
Names & identifiers
- Preferred name
- Thiopyran
- IUPAC
- 2H-thiopyran
Names & synonyms
ThiopyranRefChem:189637DTXSID90105320360475-00-52H-thiopyran2H-1-Thiapyran289-72-5W44DE4RPN2UNII-W44DE4RPN2SCHEMBL4910SCHEMBL4911SCHEMBL58418
Show more names
SCHEMBL156618SCHEMBL232111SCHEMBL234664SCHEMBL339236SCHEMBL1664543SCHEMBL1664544SCHEMBL1666412SCHEMBL1666414
Database identifiers
- CAS
289-72-5、60475-00-5- PubChem CID
- 640539
- DTXSID
DTXSID60348753- UNII
- W44DE4RPN2
- Nikkaji
- J944.215D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 81.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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