2-(Methylthio)pyridine - CAS 18438-38-5

Catalog:	BB014135
Product Name:	2-(Methylthio)pyridine
CAS:	18438-38-5
Synonyms:	2-methylsulfanylpyridine

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Computed Properties

IUPAC Name:	2-methylsulfanylpyridine
Description:	2-(Methylthio)pyridine (CAS# 18438-38-5) is a useful research chemical.
Molecular Weight:	125.19
Molecular Formula:	C6H7NS
Canonical SMILES:	CSC1=CC=CC=N1
InChI:	InChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
InChI Key:	VLQBSKLZRSUMTJ-UHFFFAOYSA-N
Boiling Point:	211 °C at 760 mmHg
Purity:	98 %
Density:	1.12 g/cm³
Appearance:	Yellow liquid
MDL:	MFCD01691593
LogP:	1.80350

Publication Number	Title	Priority Date
WO-2021107872-A1	Composites, methods and uses thereof	20191126
WO-2021079973-A1	Onium salt, curing agent, curing accelerator, curable composition, and device manufacturing method	20191025
CN-110491999-A	A kind of method of modifying of organic solar batteries electron transfer layer	20190827
WO-2021013155-A1	Novel glycosyl donor, preparation method therefor, and use thereof	20190723
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201

PMID	Publication Date	Title	Journal
16411722	20060123	Dioxygen-initiated oxidation of heteroatomic substrates incorporated into ancillary pyridine ligands of carboxylate-rich diiron(II) complexes	Inorganic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.02992040
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	125.02992040
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7