2-fluoro-N'-sulfanylethanimidamide

C2H5FN2S — CID 123859636

IUPAC2-fluoro-N'-sulfanylethanimidamide
SMILESNC(CF)=NS
InChIInChI=1S/C2H5FN2S/c3-1-2(4)5-6/h6H,1H2,(H2,4,5)
InChIKeyNXYYPAUIXLPRRC-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.16
Rot. Bonds1

About 2-fluoro-N'-sulfanylethanimidamide

2-fluoro-N'-sulfanylethanimidamide (PubChem CID 123859636) has the molecular formula C2H5FN2S and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-fluoro-N'-sulfanylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-sulfanylethanimidamide
PubChem CID123859636
Molecular FormulaC2H5FN2S
Molecular Weight108.14 g/mol
Exact Mass108.02
IUPAC Name2-fluoro-N'-sulfanylethanimidamide
SMILESNC(CF)=NS
InChIInChI=1S/C2H5FN2S/c3-1-2(4)5-6/h6H,1H2,(H2,4,5)
InChIKeyNXYYPAUIXLPRRC-UHFFFAOYSA-N
XLogP0.16
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.16
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-sulfanylethanimidamide?
The IUPAC name of 2-fluoro-N'-sulfanylethanimidamide (CID 123859636) is 2-fluoro-N'-sulfanylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-sulfanylethanimidamide?
The canonical SMILES for 2-fluoro-N'-sulfanylethanimidamide is NC(CF)=NS.
What is the InChIKey of 2-fluoro-N'-sulfanylethanimidamide?
The InChIKey is NXYYPAUIXLPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FN2S/c3-1-2(4)5-6/h6H,1H2,(H2,4,5).
What are the key properties of 2-fluoro-N'-sulfanylethanimidamide?
2-fluoro-N'-sulfanylethanimidamide has a molecular weight of 108.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-sulfanylethanimidamide is sourced from PubChem (CID 123859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).