pyrazin-2-ylthiourea

C5H6N4S — CID 2771013

IUPACpyrazin-2-ylthiourea
SMILESNC(=S)Nc1cnccn1
InChIInChI=1S/C5H6N4S/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKeyTWGSSYKLXJRVDA-UHFFFAOYSA-N
MW154.20 g/mol
LogP0.13
Rot. Bonds1

About pyrazin-2-ylthiourea

pyrazin-2-ylthiourea (PubChem CID 2771013) has the molecular formula C5H6N4S and a molecular weight of 154.20 g/mol. Its IUPAC name is pyrazin-2-ylthiourea.

Molecular Properties

Compound Namepyrazin-2-ylthiourea
PubChem CID2771013
Molecular FormulaC5H6N4S
Molecular Weight154.20 g/mol
Exact Mass154.03
IUPAC Namepyrazin-2-ylthiourea
SMILESNC(=S)Nc1cnccn1
InChIInChI=1S/C5H6N4S/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKeyTWGSSYKLXJRVDA-UHFFFAOYSA-N
XLogP0.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylthiourea?
The IUPAC name of pyrazin-2-ylthiourea (CID 2771013) is pyrazin-2-ylthiourea.
What is the SMILES notation for pyrazin-2-ylthiourea?
The canonical SMILES for pyrazin-2-ylthiourea is NC(=S)Nc1cnccn1.
What is the InChIKey of pyrazin-2-ylthiourea?
The InChIKey is TWGSSYKLXJRVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4S/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10).
What are the key properties of pyrazin-2-ylthiourea?
pyrazin-2-ylthiourea has a molecular weight of 154.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylthiourea is sourced from PubChem (CID 2771013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).