chempirical

2-Mercaptomethyl pyrazine

C5H6N2SCAS 59021-02-2126.18 g/mol

Open in Covalent MOL file
HSNN
Thiol

Properties

Molecular formula
C5H6N2S
Molar mass
126.18 g/mol
Exact mass
126.0252 Da
Density
1.148–1.156 g/mL
logP
0.91Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59021-02-2
SMILES
SCc1cnccn1
InChIKey
VQFGDOHENLRPFB-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2

Weigh it out

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

Names and synonyms

5 names
  • Pyrazinemethanethiol
  • 2-Pyrazinemethanethiol
  • Pyrazinylmethyl mercaptan
  • 2-(Mercaptomethyl)pyrazine
  • (Pyrazin-2-yl)methanethiol

Work with 2-Mercaptomethyl pyrazine

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

Pyrazineethanethiol35250-53-462 % similar 2-Ethylpyrazine13925-00-354 % similar (Pyrazin-2-ylmethyl)amine20010-99-554 % similar 2-Pyrazinemethanol6705-33-554 % similar Propylpyrazine18138-03-950 % similar Isobutylpyrazine29460-92-248 % similar Methoxymethylpyrazine63450-30-648 % similar 2-Pyridinemethanethiol2044-73-748 % similar

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

Same formula

2-(Methylthio)pyrazine21948-70-9 3-Aminopyridine-2-thiol38240-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook