3-(4-Methoxyphenyl)-1,3-thiazinane-2-thione
Basic information
- CAS
78556-09-9- Standard SMILES
COc1ccc(N2CCCSC2=S)cc1- InChIKey
VZRXFLGJMKLUPR-UHFFFAOYSA-N- Molecular formula
- C11H13NOS2
- Average molar mass
- 239.4 g/mol
- Monoisotopic mass
- 239.04385639
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-1,3-thiazinane-2-thione
- IUPAC
- 3-(4-methoxyphenyl)-1,3-thiazinane-2-thione
Names & synonyms
3-(4-Methoxyphenyl)-1,3-thiazinane-2-thione78556-09-9GM5FRP7VCGUNII-GM5FRP7VCGNSC 362636NSC-362636DTXSID902291622H-1,3-THIAZINE-2-THIONE, TETRAHYDRO-3-(4-METHOXYPHENYL)-RefChem:92464DTXCID10151653NSC362636
Database identifiers
- CAS
78556-09-9- PubChem CID
- 338738
- DTXSID
DTXSID90229162- UNII
- GM5FRP7VCG
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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