2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide

C7H10N2O2S — CID 2744168

IUPAC2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide
SMILESNC(CSCc1ccco1)=NO
InChIInChI=1S/C7H10N2O2S/c8-7(9-10)5-12-4-6-2-1-3-11-6/h1-3,10H,4-5H2,(H2,8,9)
InChIKeyRVYUMIBUTALHPF-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.26
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide

2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide (PubChem CID 2744168) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide
PubChem CID2744168
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide
SMILESNC(CSCc1ccco1)=NO
InChIInChI=1S/C7H10N2O2S/c8-7(9-10)5-12-4-6-2-1-3-11-6/h1-3,10H,4-5H2,(H2,8,9)
InChIKeyRVYUMIBUTALHPF-UHFFFAOYSA-N
XLogP1.26
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide (CID 2744168) is 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide is NC(CSCc1ccco1)=NO.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide?
The InChIKey is RVYUMIBUTALHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-7(9-10)5-12-4-6-2-1-3-11-6/h1-3,10H,4-5H2,(H2,8,9).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide?
2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide has a molecular weight of 186.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 2744168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).