2-(2-fluorophenyl)sulfanylbenzenecarboximidamide

C13H11FN2S — CID 28601945

IUPAC2-(2-fluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1ccccc1F
InChIInChI=1S/C13H11FN2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyTXCZMJBJJIRFTM-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.26
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide

2-(2-fluorophenyl)sulfanylbenzenecarboximidamide (PubChem CID 28601945) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylbenzenecarboximidamide
PubChem CID28601945
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name2-(2-fluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1ccccc1F
InChIInChI=1S/C13H11FN2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyTXCZMJBJJIRFTM-UHFFFAOYSA-N
XLogP3.26
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-fluorophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide (CID 28601945) is 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccccc1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is TXCZMJBJJIRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide?
2-(2-fluorophenyl)sulfanylbenzenecarboximidamide has a molecular weight of 246.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 28601945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).