4-ethylsulfanylpyridine-2-carboximidamide

C8H11N3S — CID 62926350

IUPAC4-ethylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SCC)ccn1
InChIInChI=1S/C8H11N3S/c1-2-12-6-3-4-11-7(5-6)8(9)10/h3-5H,2H2,1H3,(H3,9,10)
InChIKeyWANKVHFIBLBWFH-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.48
Rot. Bonds3

About 4-ethylsulfanylpyridine-2-carboximidamide

4-ethylsulfanylpyridine-2-carboximidamide (PubChem CID 62926350) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-ethylsulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name4-ethylsulfanylpyridine-2-carboximidamide
PubChem CID62926350
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-ethylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SCC)ccn1
InChIInChI=1S/C8H11N3S/c1-2-12-6-3-4-11-7(5-6)8(9)10/h3-5H,2H2,1H3,(H3,9,10)
InChIKeyWANKVHFIBLBWFH-UHFFFAOYSA-N
XLogP1.48
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-ethylsulfanylpyridine-2-carboximidamide?
The IUPAC name of 4-ethylsulfanylpyridine-2-carboximidamide (CID 62926350) is 4-ethylsulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 4-ethylsulfanylpyridine-2-carboximidamide?
The canonical SMILES for 4-ethylsulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1cc(SCC)ccn1.
What is the InChIKey of 4-ethylsulfanylpyridine-2-carboximidamide?
The InChIKey is WANKVHFIBLBWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-12-6-3-4-11-7(5-6)8(9)10/h3-5H,2H2,1H3,(H3,9,10).
What are the key properties of 4-ethylsulfanylpyridine-2-carboximidamide?
4-ethylsulfanylpyridine-2-carboximidamide has a molecular weight of 181.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 62926350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).