(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide

C10H8FN3S — CID 6858483

IUPAC(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide
SMILES[H]/N=C(N)/C(C#N)=C\Sc1ccccc1F
InChIInChI=1S/C10H8FN3S/c11-8-3-1-2-4-9(8)15-6-7(5-12)10(13)14/h1-4,6H,(H3,13,14)/b7-6-
InChIKeyAGIVAUXMWICRRQ-SREVYHEPSA-N
MW221.26 g/mol
LogP2.26
Rot. Bonds3

About (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide

(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide (PubChem CID 6858483) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide
PubChem CID6858483
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide
SMILES[H]/N=C(N)/C(C#N)=C\Sc1ccccc1F
InChIInChI=1S/C10H8FN3S/c11-8-3-1-2-4-9(8)15-6-7(5-12)10(13)14/h1-4,6H,(H3,13,14)/b7-6-
InChIKeyAGIVAUXMWICRRQ-SREVYHEPSA-N
XLogP2.26
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide?
The IUPAC name of (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide (CID 6858483) is (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide.
What is the SMILES notation for (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide?
The canonical SMILES for (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide is [H]/N=C(N)/C(C#N)=C\Sc1ccccc1F.
What is the InChIKey of (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide?
The InChIKey is AGIVAUXMWICRRQ-SREVYHEPSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-8-3-1-2-4-9(8)15-6-7(5-12)10(13)14/h1-4,6H,(H3,13,14)/b7-6-.
What are the key properties of (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide?
(E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide has a molecular weight of 221.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-fluorophenyl)sulfanylprop-2-enimidamide is sourced from PubChem (CID 6858483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).