N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide

C7H10N2OS2 — CID 76915456

IUPACN'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide
SMILESCC(Sc1cccs1)C(N)=NO
InChIInChI=1S/C7H10N2OS2/c1-5(7(8)9-10)12-6-3-2-4-11-6/h2-5,10H,1H3,(H2,8,9)
InChIKeyWWQWIJSMINIQOQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.98
Rot. Bonds3

About N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide

N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide (PubChem CID 76915456) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide
PubChem CID76915456
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameN'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide
SMILESCC(Sc1cccs1)C(N)=NO
InChIInChI=1S/C7H10N2OS2/c1-5(7(8)9-10)12-6-3-2-4-11-6/h2-5,10H,1H3,(H2,8,9)
InChIKeyWWQWIJSMINIQOQ-UHFFFAOYSA-N
XLogP1.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.98
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-ylsulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide (CID 76915456) is N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide is CC(Sc1cccs1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide?
The InChIKey is WWQWIJSMINIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-5(7(8)9-10)12-6-3-2-4-11-6/h2-5,10H,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide?
N'-hydroxy-2-thiophen-2-ylsulfanylpropanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.98, 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-ylsulfanylpropanimidamide is sourced from PubChem (CID 76915456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).