Pyridine, 2-(methylthio)-
Basic information
- CAS
18438-38-5- Standard SMILES
CSc1ccccn1- InChIKey
VLQBSKLZRSUMTJ-UHFFFAOYSA-N- Molecular formula
- C6H7NS
- Average molar mass
- 125.19 g/mol
- Monoisotopic mass
- 125.0299204
Names & identifiers
- Preferred name
- Pyridine, 2-(methylthio)-
- IUPAC
- 2-methylsulfanylpyridine
- English name
- 2-Methylthiopyridine
- Molecular formula
- C6H7NS
- Molecular weight
- 125.19
Names & synonyms
2-(Methylthio)pyridine18438-38-5PYRIDINE, 2-(METHYLTHIO)-Methyl 2-pyridyl sulfide2-Pyridyl methyl sulfide2-MethylthiolpyridineMethylthio-2 pyridineMethylthio-2 pyridine [French]BRN 0108190DTXSID001715675-21-02-00033 (Beilstein Handbook Reference)RefChem:870614
Show more names
methylthio-2pyridine2-pyridylmethylsulfide2-(methylthio)-pyridin2-METHYLMERCAPTO-PYRIDINE2-(Methylthio)pyridine>Pyridine, 2-(methylthio)-
DTXCID7094058623-744-3InChI=1/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H2-Methylthiopyridine2-methylsulfanylpyridine2-(Methylsulfanyl)pyridineMFCD016915932-Methylthio pyridine
Database identifiers
- CAS
18438-38-5- PubChem CID
- 29076
- DTXSID
DTXSID00171567- EC Number
- 623-744-3
- Nikkaji
- J47.422C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.71
Physicochemical properties
- Boiling point
- 197 °C · 197 °C
- Density
- 1.12 g/mL · 1.12 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.570
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 1 · pK1:3.59(+1) (20°C)
- color
- Colorless to Light yellow to Light orange
- BRN
- 108190 · 108190
- InChI
- 1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
- InChIKey
- VLQBSKLZRSUMTJ-UHFFFAOYSA-N
- SMILES
- CSc1ccccn1
- LogP
- 1.71 · 1.710
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-13-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- UT6207000
- hs_code
- 29333990
- Toxicity
- mouse,LD50,intravenous,175mg/kg (175mg/kg),Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 143, 1953.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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