N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide

C7H10N2OS2 — CID 43200144

IUPACN'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
SMILESN/C(CCSc1cccs1)=N\O
InChIInChI=1S/C7H10N2OS2/c8-6(9-10)3-5-12-7-2-1-4-11-7/h1-2,4,10H,3,5H2,(H2,8,9)
InChIKeyQYUWERLPTFCOIB-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.98
Rot. Bonds4

About N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide

N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide (PubChem CID 43200144) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
PubChem CID43200144
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameN'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
SMILESN/C(CCSc1cccs1)=N\O
InChIInChI=1S/C7H10N2OS2/c8-6(9-10)3-5-12-7-2-1-4-11-7/h1-2,4,10H,3,5H2,(H2,8,9)
InChIKeyQYUWERLPTFCOIB-UHFFFAOYSA-N
XLogP1.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-3-thiophen-2-ylsulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide (CID 43200144) is N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide is N/C(CCSc1cccs1)=N\O.
What is the InChIKey of N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide?
The InChIKey is QYUWERLPTFCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c8-6(9-10)3-5-12-7-2-1-4-11-7/h1-2,4,10H,3,5H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide?
N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide is sourced from PubChem (CID 43200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).