N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide

C10H13FN2S — CID 66065533

IUPACN'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
SMILESCC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C10H13FN2S/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyQOSRQCUZYPVZCL-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds4

About N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide

N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide (PubChem CID 66065533) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
PubChem CID66065533
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC NameN'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
SMILESCC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C10H13FN2S/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyQOSRQCUZYPVZCL-UHFFFAOYSA-N
XLogP2.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The IUPAC name of N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide (CID 66065533) is N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The canonical SMILES for N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide is CC/N=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The InChIKey is QOSRQCUZYPVZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13).
What are the key properties of N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide?
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide has a molecular weight of 212.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide is sourced from PubChem (CID 66065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).