chempirical

2-Pyridinemethanethiol

C6H7NSCAS 2044-73-7125.19 g/mol

Open in Covalent MOL file
HSN
Thiol

Properties

Molecular formula
C6H7NS
Molar mass
125.19 g/mol
Exact mass
125.0299 Da
Boiling point
87–89 °C (at 10 Torr)
logP
1.51Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2044-73-7
SMILES
SCc1ccccn1
InChIKey
SJIIDWBFRZACDQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Pyridine-2-thiocarbinol
  • 2-(Mercaptomethyl)pyridine
  • 2-Pyridylmethyl mercaptan
  • 2-Pyridylmethanethiol
  • 2-Picolylthiol
  • NSC 82320
  • Pyridin-2-ylmethanethiol

Work with 2-Pyridinemethanethiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethylpyridine100-71-054 % similar Dipicolylamine1539-42-054 % similar 2-Picolylamine3731-51-954 % similar 2-Chloromethylpyridine4377-33-754 % similar 2-Pyridinemethanol586-98-154 % similar 2-(Phenylmethyl)pyridine101-82-652 % similar 2-Pyridineethanol103-74-250 % similar Tpen16858-02-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Aminothiophenol1193-02-8 2-Aminothiophenol137-07-5 4-Methyl-5-vinylthiazole1759-28-0 2-(Methylthio)pyridine18438-38-5 3-Aminothiophenol22948-02-3

Elsewhere

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