pyrazin-2-ylmethanedithiol

C5H6N2S2 — CID 90963119

IUPACpyrazin-2-ylmethanedithiol
SMILESSC(S)c1cnccn1
InChIInChI=1S/C5H6N2S2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H
InChIKeyCRLQREAINBTKGW-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.33
Rot. Bonds1

About pyrazin-2-ylmethanedithiol

pyrazin-2-ylmethanedithiol (PubChem CID 90963119) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is pyrazin-2-ylmethanedithiol.

Molecular Properties

Compound Namepyrazin-2-ylmethanedithiol
PubChem CID90963119
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Namepyrazin-2-ylmethanedithiol
SMILESSC(S)c1cnccn1
InChIInChI=1S/C5H6N2S2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H
InChIKeyCRLQREAINBTKGW-UHFFFAOYSA-N
XLogP1.33
TPSA25.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-pyrazin-2-ylprop-2-yn-1-ol
CID 130171254
1-pyrazin-2-ylethylphosphane
CID 59073972
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
2-[(2R)-but-3-yn-2-yl]pyrazine
CID 143800515
2-bromo-2-pyrazin-2-ylacetaldehyde
CID 87311321
(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
CID 55293918
2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine
CID 70954082
4-pyrazin-2-ylpentan-2-amine
CID 64721175
2-pyrazin-2-ylpropanamide
CID 21413230
2-(2-bromopentan-3-yl)pyrazine
CID 63203717
2-(1-ethoxyethyl)pyrazine
CID 71406239

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethanedithiol?
The IUPAC name of pyrazin-2-ylmethanedithiol (CID 90963119) is pyrazin-2-ylmethanedithiol.
What is the SMILES notation for pyrazin-2-ylmethanedithiol?
The canonical SMILES for pyrazin-2-ylmethanedithiol is SC(S)c1cnccn1.
What is the InChIKey of pyrazin-2-ylmethanedithiol?
The InChIKey is CRLQREAINBTKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H.
What are the key properties of pyrazin-2-ylmethanedithiol?
pyrazin-2-ylmethanedithiol has a molecular weight of 158.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethanedithiol is sourced from PubChem (CID 90963119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).