Basic information
- CAS
59021-02-2- Standard SMILES
SCc1cnccn1- InChIKey
VQFGDOHENLRPFB-UHFFFAOYSA-N- Molecular formula
- C5H6N2S
- Average molar mass
- 126.18 g/mol
- Monoisotopic mass
- 126.02516937
Overview
Pyrazinemethanethiol is a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Mercaptomethyl pyrazine
- IUPAC
- pyrazin-2-ylmethanethiol
- English name
- 2-Mercaptomethylpyrazine
- Molecular formula
- C5H6N2S
- Molecular weight
- 126.18
Names & synonyms
2-Mercaptomethylpyrazinepyrazin-2-ylmethanethiolPyrazinemethanethiolPyrazinylmethyl mercaptan2-Pyrazinemethanethiol2-mercaptomethyl pyrazine2-(mercaptomethyl)pyrazineFEMA No. 3299Pyrazine, 2-mercaptomethyl-BRN 0878425CUV3XV379FDTXSID3069302
Show more names
FEMA 3299FEMA NUMBER 32992-MercaptoMethylpyraPYRAZINE METHANETHIOL2-pyrazinylmethanethiolMERCAPTOMETHYL PYRAZINE2-mercaptomethyl-pyrazin2-Mercaptomethylpyrazine USP/EP/BP
2-MERCAPTOMETHYL PYRAZINE [FHFI]RefChem:474042DTXCID604252559021-02-2(pyrazin-2-yl)methanethiolUNII-CUV3XV379F2-Mercaptomethyl-Pyrazine2-mercapto methyl pyrazine
Database identifiers
- CAS
59021-02-2- PubChem CID
- 62145
- DTXSID
DTXSID3069302
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 67.4
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.148-1.156
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
44.00 to 45.00 °C. @ 0.07 mm Hg
94 °C (10 mm Hg)
Refractive Index1.548-1.560
Physical Descriptioncolourless to yellow liquid with a roasted, meat-like odour
Physicochemical properties
- Boiling point
- 224.8 · 224.8±25.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- FEMA
- 3299 · 3299 | 2-MERCAPTOMETHYLPYRAZINE
- FLAVIS Number
- 14.053 · 14.053 | Mercaptomethylpyrazine
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazinemethanethiol
Pyrazinemethanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Pyrazinemethanethiol: INACTIVE
Preparation methods
PreparationChloromethylpyrazine is added to sodium hydrogen sulfide.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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