4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide

C10H13FN2OS — CID 43188577

IUPAC4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCSCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H13FN2OS/c1-2-15-6-8-4-3-7(5-9(8)11)10(12)13-14/h3-5,14H,2,6H2,1H3,(H2,12,13)
InChIKeyJLGHBWGDKPSFDM-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.17
Rot. Bonds4

About 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43188577) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43188577
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCSCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H13FN2OS/c1-2-15-6-8-4-3-7(5-9(8)11)10(12)13-14/h3-5,14H,2,6H2,1H3,(H2,12,13)
InChIKeyJLGHBWGDKPSFDM-UHFFFAOYSA-N
XLogP2.17
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43188577) is 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCSCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JLGHBWGDKPSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-2-15-6-8-4-3-7(5-9(8)11)10(12)13-14/h3-5,14H,2,6H2,1H3,(H2,12,13).
What are the key properties of 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 228.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43188577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).