2-Mercaptopyrazine

C₄H₄N₂SCAS 38521-06-1112.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄N₂S
Molar mass: 112.15 g/mol
Exact mass: 112.0095 Da
logP: 1.14Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38521-06-1

SMILES

C1=CN=CC(=S)N1

InChIKey

HKAVADYDPYUPRD-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)

Weigh it out

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

Work with 2-Mercaptopyrazine

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

1,2-Dihydropyrazin-2-one6270-63-946 % similar 1H-Pyrrolo[2,3-c]pyridine271-29-433 % similar 1H-Pyrrolo[3,2-c]pyridine271-34-133 % similar 2,2'-Biimidazole492-98-832 % similar

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

Same formula

2-Mercaptopyrimidine1450-85-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook