3-thiophen-2-ylsulfanylpropanimidamide

C7H10N2S2 — CID 28602936

IUPAC3-thiophen-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cccs1
InChIInChI=1S/C7H10N2S2/c8-6(9)3-5-11-7-2-1-4-10-7/h1-2,4H,3,5H2,(H3,8,9)
InChIKeyLGYGJQURLCCAMA-UHFFFAOYSA-N
MW186.31 g/mol
LogP2.17
Rot. Bonds4

About 3-thiophen-2-ylsulfanylpropanimidamide

3-thiophen-2-ylsulfanylpropanimidamide (PubChem CID 28602936) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanylpropanimidamide.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanylpropanimidamide
PubChem CID28602936
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name3-thiophen-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cccs1
InChIInChI=1S/C7H10N2S2/c8-6(9)3-5-11-7-2-1-4-10-7/h1-2,4H,3,5H2,(H3,8,9)
InChIKeyLGYGJQURLCCAMA-UHFFFAOYSA-N
XLogP2.17
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfanylpropanimidamide?
The IUPAC name of 3-thiophen-2-ylsulfanylpropanimidamide (CID 28602936) is 3-thiophen-2-ylsulfanylpropanimidamide.
What is the SMILES notation for 3-thiophen-2-ylsulfanylpropanimidamide?
The canonical SMILES for 3-thiophen-2-ylsulfanylpropanimidamide is [H]/N=C(\N)CCSc1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfanylpropanimidamide?
The InChIKey is LGYGJQURLCCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c8-6(9)3-5-11-7-2-1-4-10-7/h1-2,4H,3,5H2,(H3,8,9).
What are the key properties of 3-thiophen-2-ylsulfanylpropanimidamide?
3-thiophen-2-ylsulfanylpropanimidamide has a molecular weight of 186.31 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 3-thiophen-2-ylsulfanylpropanimidamide is sourced from PubChem (CID 28602936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).