2-(1-Methylethyl)-3-[(2-methyl-3-thienyl)thio]pyrazine
Basic information
- CAS
94201-16-8- Standard SMILES
Cc1sccc1Sc1nccnc1C(C)C- InChIKey
VTNHXYJLRZHYLW-UHFFFAOYSA-N- Molecular formula
- C12H14N2S2
- Average molar mass
- 250.4 g/mol
- Monoisotopic mass
- 250.0598408
Names & identifiers
- Preferred name
- 2-(1-Methylethyl)-3-[(2-methyl-3-thienyl)thio]pyrazine
- IUPAC
- 2-(2-methylthiophen-3-yl)sulfanyl-3-propan-2-ylpyrazine
- English name
- 2-(1-methylethyl)-3-[(2-methyl-3-thienyl)thio]pyrazine
- Molecular formula
- C12H14N2S2
- Molecular weight
- 250.38296
Names & synonyms
94201-16-8HMY0CUP4772-(1-Methylethyl)-3-((2-methyl-3-thienyl)thio)pyrazineEINECS 303-598-4UNII-HMY0CUP4772-(1-METHYLETHYL)-3-[(2-METHYL-3-THIENYL)THIO]PYRAZINEDTXSID90241001PYRAZINE, 2-(1-METHYLETHYL)-3-((2-METHYL-3-THIENYL)THIO)-RefChem:83831DTXCID50163492303-598-4VTNHXYJLRZHYLW-UHFFFAOYSA-N
Show more names
2-(2-methylthiophen-3-yl)sulfanyl-3-propan-2-ylpyrazine
2-[(2-methylthiophen-3-yl)sulfanyl]-3-(propan-2-yl)pyrazineNS00040243
Database identifiers
- CAS
94201-16-8- PubChem CID
- 3023980
- DTXSID
DTXSID90241001- UNII
- HMY0CUP477
- EC Number
- 303-598-4
- Nikkaji
- J382.419E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- FDA UNII
- 0 CUP477 · HMY0CUP477
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Compound notes
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