2-(Cyclohexylthio)-3-methylpyrazine
Basic information
- CAS
73972-64-2- Standard SMILES
Cc1nccnc1SC1CCCCC1- InChIKey
PWXZCRYBKTWJTJ-UHFFFAOYSA-N- Molecular formula
- C11H16N2S
- Average molar mass
- 208.33 g/mol
- Monoisotopic mass
- 208.10341969
Names & identifiers
- Preferred name
- 2-(Cyclohexylthio)-3-methylpyrazine
- IUPAC
- 2-cyclohexylsulfanyl-3-methylpyrazine
- English name
- 2-(Cyclohexylthio)-3-methylpyrazine
- Molecular formula
- C11H16N2S
- Molecular weight
- 208.32
Names & synonyms
Pyrazine, 2-(cyclohexylthio)-3-methyl-2-(Cyclohexylthio)-3-methyl-pyrazine2-(Cyclohexylthio)-3-methylpyrazineNSC 222769118Z5U0LTMNSC-222769UNII-118Z5U0LTMDTXSID60224720RefChem:197620DTXCID9014721173972-64-2NSC222769
Show more names
2-(cyclohexylsulfanyl)-3-methylpyrazineWLN: T6N DNJ B1 CS- AL6TJ
Database identifiers
- CAS
73972-64-2- PubChem CID
- 99449
- DTXSID
DTXSID60224720- UNII
- 118Z5U0LTM
- Nikkaji
- J113.399C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 318.4 · 318.4±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 0.71 · 0.71±0.10(Predicted)
- FDA UNII
- 118 Z5U0LTM · 118Z5U0LTM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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