2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide

C9H11FN2S — CID 66065532

IUPAC2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
SMILESC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C9H11FN2S/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyBQNYDSIZMRAVMY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide

2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide (PubChem CID 66065532) has the molecular formula C9H11FN2S and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
PubChem CID66065532
Molecular FormulaC9H11FN2S
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
SMILESC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C9H11FN2S/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyBQNYDSIZMRAVMY-UHFFFAOYSA-N
XLogP1.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
CID 66065738
2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
CID 66065534
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide
CID 106746928
N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
CID 66144390
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide (CID 66065532) is 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide is C/N=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide?
The InChIKey is BQNYDSIZMRAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,12).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide?
2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide has a molecular weight of 198.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide is sourced from PubChem (CID 66065532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).