CAS 22581-72-2 4-(Methylthio)pyridine (HCID 140938)

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Basic information

CAS: 22581-72-2
Standard SMILES: CSc1ccncc1
InChIKey: XCHSSZMKKXPBAI-UHFFFAOYSA-N
Molecular formula: C6H7NS
Average molar mass: 125.19 g/mol
Monoisotopic mass: 125.02992022

Names & identifiers

Preferred name: 4-(Methylthio)pyridine
IUPAC: 4-methylsulfanylpyridine
English name: Pyridine, 4-(methylthio)- (6CI,8CI,9CI)
Molecular formula: C6H7NS
Molecular weight: 125.19

Names & synonyms

4-(Methylthio)pyridine22581-72-2Pyridine, 4-(methylthio)-DTXSID00177105NSC 75094RefChem:97517DTXCID8099596InChI=1/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1HXCHSSZMKKXPBAI-UHFFFAOYSA-N4-(Methylsulfanyl)pyridine4-methylsulfanylpyridinePyridine, 4-(methylthio)- (6CI,8CI,9CI)

Show more names

Pyridine, 4-(methylthio

4-MethylthiopyridineMFCD00234208NSC-75094pyridine, 4-methylthio-Methyl(4-pyridyl) sulfideMethyl(4-pyridinyl) sulfideNSC75094Pyridine, 4-methylthio

Database identifiers

CAS: 22581-72-2
PubChem CID: 140938
DTXSID: DTXSID00177105
UNII: 98S9492322
EC Number: 974-588-0
Nikkaji: J100.544H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 38.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 59.5

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 44 · 44-45 °C
Boiling point: 211 · 211.0±13.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
solubility: Chloroform, Methanol (Slightly)
pka: 6.13 · 6.13±0.10(Predicted)
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.