2-pyrazin-2-ylsulfanylethanimidamide

C6H8N4S — CID 63380757

IUPAC2-pyrazin-2-ylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1cnccn1
InChIInChI=1S/C6H8N4S/c7-5(8)4-11-6-3-9-1-2-10-6/h1-3H,4H2,(H3,7,8)
InChIKeyPJAHPNAJZSSOFN-UHFFFAOYSA-N
MW168.23 g/mol
LogP0.50
Rot. Bonds3

About 2-pyrazin-2-ylsulfanylethanimidamide

2-pyrazin-2-ylsulfanylethanimidamide (PubChem CID 63380757) has the molecular formula C6H8N4S and a molecular weight of 168.23 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylethanimidamide.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylethanimidamide
PubChem CID63380757
Molecular FormulaC6H8N4S
Molecular Weight168.23 g/mol
Exact Mass168.05
IUPAC Name2-pyrazin-2-ylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1cnccn1
InChIInChI=1S/C6H8N4S/c7-5(8)4-11-6-3-9-1-2-10-6/h1-3H,4H2,(H3,7,8)
InChIKeyPJAHPNAJZSSOFN-UHFFFAOYSA-N
XLogP0.50
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylethanimidamide?
The IUPAC name of 2-pyrazin-2-ylsulfanylethanimidamide (CID 63380757) is 2-pyrazin-2-ylsulfanylethanimidamide.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylethanimidamide?
The canonical SMILES for 2-pyrazin-2-ylsulfanylethanimidamide is [H]/N=C(\N)CSc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylethanimidamide?
The InChIKey is PJAHPNAJZSSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c7-5(8)4-11-6-3-9-1-2-10-6/h1-3H,4H2,(H3,7,8).
What are the key properties of 2-pyrazin-2-ylsulfanylethanimidamide?
2-pyrazin-2-ylsulfanylethanimidamide has a molecular weight of 168.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylethanimidamide is sourced from PubChem (CID 63380757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).