N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide

C6H8N2OS2 — CID 2819636

IUPACN'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
SMILESNC(CSc1cccs1)=NO
InChIInChI=1S/C6H8N2OS2/c7-5(8-9)4-11-6-2-1-3-10-6/h1-3,9H,4H2,(H2,7,8)
InChIKeyKRQWWVFKOGUDDY-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.59
Rot. Bonds3

About N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide

N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide (PubChem CID 2819636) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
PubChem CID2819636
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC NameN'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
SMILESNC(CSc1cccs1)=NO
InChIInChI=1S/C6H8N2OS2/c7-5(8-9)4-11-6-2-1-3-10-6/h1-3,9H,4H2,(H2,7,8)
InChIKeyKRQWWVFKOGUDDY-UHFFFAOYSA-N
XLogP1.59
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.59
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 N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide?
The IUPAC name of N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide (CID 2819636) is N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide?
The canonical SMILES for N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide is NC(CSc1cccs1)=NO.
What is the InChIKey of N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide?
The InChIKey is KRQWWVFKOGUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c7-5(8-9)4-11-6-2-1-3-10-6/h1-3,9H,4H2,(H2,7,8).
What are the key properties of N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide?
N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide has a molecular weight of 188.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide is sourced from PubChem (CID 2819636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).