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Basic information
- CAS
59021-03-3- Standard SMILES
CSCc1cnccn1- InChIKey
PNGHTEYYARFCTE-UHFFFAOYSA-N- Molecular formula
- C6H8N2S
- Average molar mass
- 140.21 g/mol
- Monoisotopic mass
- 140.04081944
Names & identifiers
- Preferred name
- Pyrazine, 2-[(methylthio)methyl]-
- IUPAC
- 2-(methylsulfanylmethyl)pyrazine
- English name
- 2-METHYL-3-(METHYLTHIO)PYRAZINE
- Molecular formula
- C6H8N2S
- Molecular weight
- 140.21
Names & synonyms
pyrazine, 2-[(methylthio)methyl]-FEMA 3231((Methylthio)methyl)pyrazinePyrazinylmethyl methyl sulfidePyrazine, ((methylthio)methyl)-BRN 0774815Pyrazine, [(methylthio)methyl]-Pyrazine, 2-(methylthiomethyl)-Pyrazine, 2-((methylthio)methyl)-RefChem:87042759021-03-32-((Methylthio)methyl)pyrazine
Show more names
FEMA 3208FEMA NUMBER 3208TIMTEC-BB SBB008573METHYL(METHYLTHIO)PYRAZINE(METHYLTHIO)METHYLPYRAZINE2-(Methylthiomethyl)pyrazine2-METHYLTHIO-3-METHYLPYRAZINEPYRAZINYLMETHYLMETHYLSULPHIDEMETHYL MERCAPTO METHYLPYRAZINEMETHYL MERCAPTO-METHYLPYRAZINES
2-(methylsulfanylmethyl)pyrazine2-[(METHYLSULFANYL)METHYL]PYRAZINESCHEMBL891370SCHEMBL9712632-(methylsulanylmethyl)pyrazineSCHEMBL2397846DTXSID8069303CHEBI:228525
Database identifiers
- CAS
59021-03-3- PubChem CID
- 100930
- DTXSID
DTXSID8069303- ChEBI
CHEBI:228525- Nikkaji
- J113.403E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Boiling point
- 213 · 213-214 °C(lit.)
- Density
- 1.15 g/mL · 1.15 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.585(lit.)
- Flash point
- 210 °F · 210 °F
- LogP
- 0.153 · 0.153 (est)
- FDA UNII
- 9 F5B18P · OTV9F5B18P
- EPA Substance Registry System
- Pyrazine, [(methylthio)methyl]- (59021-03-3)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Suppliers12 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Wutong Aroma Chemicals Co., Ltd0531-88817695
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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