N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide

C8H10FN3S — CID 66072733

IUPACN'-amino-2-(3-fluorophenyl)sulfanylethanimidamide
SMILESN/N=C(/N)CSc1cccc(F)c1
InChIInChI=1S/C8H10FN3S/c9-6-2-1-3-7(4-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12)
InChIKeyGGZMHYSIDZURBV-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.15
Rot. Bonds3

About N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide

N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide (PubChem CID 66072733) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(3-fluorophenyl)sulfanylethanimidamide
PubChem CID66072733
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC NameN'-amino-2-(3-fluorophenyl)sulfanylethanimidamide
SMILESN/N=C(/N)CSc1cccc(F)c1
InChIInChI=1S/C8H10FN3S/c9-6-2-1-3-7(4-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12)
InChIKeyGGZMHYSIDZURBV-UHFFFAOYSA-N
XLogP1.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide?
The IUPAC name of N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide (CID 66072733) is N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide?
The canonical SMILES for N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide is N/N=C(/N)CSc1cccc(F)c1.
What is the InChIKey of N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide?
The InChIKey is GGZMHYSIDZURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-6-2-1-3-7(4-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12).
What are the key properties of N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide?
N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide has a molecular weight of 199.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(3-fluorophenyl)sulfanylethanimidamide is sourced from PubChem (CID 66072733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).