Pyrazineethanethiol

C6H8N2SCAS 35250-53-4140.20 g/mol

Open in Covalent MOL file
HSNN
Thiol

Properties

Molecular formula
C6H8N2S
Molar mass
140.20 g/mol
Exact mass
140.0408 Da
Density
1.147–1.157 g/mL
logP
0.95Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 1,593 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
35250-53-4
SMILES
SCCc1cnccn1
InChIKey
QKVWBAMZPUHCMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2

Weigh it out

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

Names and synonyms

5 names
  • 2-Pyrazineethanethiol
  • 2-Pyrazinylethylmercaptan
  • 2-(Pyrazin-2-yl)ethanethiol
  • Mercaptoethylpyrazine
  • 2-(Pyrazin-2-yl)ethane-1-thiol

Work with Pyrazineethanethiol

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-Mercaptomethyl pyrazine59021-02-262 % similar Propylpyrazine18138-03-957 % similar 2-Ethylpyrazine13925-00-350 % similar (Pyrazin-2-ylmethyl)amine20010-99-550 % similar 2-Pyrazinemethanol6705-33-550 % similar Isobutylpyrazine29460-92-245 % similar Methoxymethylpyrazine63450-30-645 % similar 2-Fluoropyrazine 984949-13-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-Thiodipropionitrile111-97-7 4-Methyl-2-(methylthio)pyrimidine14001-63-9 4,6-Dimethyl-2-mercaptopyrimidine22325-27-5 2-Methyl-3-(methylthio)pyrazine2882-20-4 Methyl(methylthio)pyrazine67952-65-2

Elsewhere

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