Basic information
- CAS
99784-22-2- Standard SMILES
CSc1ncc(C(C)C)nc1C- InChIKey
KDTCGKNUJMPSDM-UHFFFAOYSA-N- Molecular formula
- C9H14N2S
- Average molar mass
- 182.29 g/mol
- Monoisotopic mass
- 182.08776963
Names & identifiers
- Preferred name
- 5-Isopropyl-3-methyl-2-(methylthio)pyrazine
- IUPAC
- 3-methyl-2-methylsulfanyl-5-propan-2-ylpyrazine
- English name
- Pyrazine, 3-methyl-5-(1-methylethyl)-2-(methylthio)- (9CI)
- Molecular formula
- C9H14N2S
- Molecular weight
- 182.28586
Names & synonyms
5-Isopropyl-3-methyl-2-(methylthio)pyrazine99784-22-2DTXSID60335961RefChem:303591DTXCID40287050KDTCGKNUJMPSDM-UHFFFAOYSA-NDB-0889293-Methyl-2-(methylsulfanyl)-5-(propan-2-yl)pyrazinePyrazine, 3-methyl-5-(1-methylethyl)-2-(methylthio)3-methyl-2-methylsulfanyl-5-propan-2-ylpyrazine3-METHYL-5-(1-METHYLETHYL)-2-(METHYLSULFANYL)PYRAZINEPyrazine, 3-methyl-5-(1-methylethyl)-2-(methylthio)- (9CI)
Database identifiers
- CAS
99784-22-2- PubChem CID
- 528140
- DTXSID
DTXSID60335961
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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