3-thiophen-2-ylsulfanylbutanimidamide

C8H12N2S2 — CID 60913846

IUPAC3-thiophen-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1cccs1
InChIInChI=1S/C8H12N2S2/c1-6(5-7(9)10)12-8-3-2-4-11-8/h2-4,6H,5H2,1H3,(H3,9,10)
InChIKeyPIBITCNUCORGPO-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.55
Rot. Bonds4

About 3-thiophen-2-ylsulfanylbutanimidamide

3-thiophen-2-ylsulfanylbutanimidamide (PubChem CID 60913846) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanylbutanimidamide.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanylbutanimidamide
PubChem CID60913846
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name3-thiophen-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1cccs1
InChIInChI=1S/C8H12N2S2/c1-6(5-7(9)10)12-8-3-2-4-11-8/h2-4,6H,5H2,1H3,(H3,9,10)
InChIKeyPIBITCNUCORGPO-UHFFFAOYSA-N
XLogP2.55
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.55
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-ylsulfanylbutanimidamide?
The IUPAC name of 3-thiophen-2-ylsulfanylbutanimidamide (CID 60913846) is 3-thiophen-2-ylsulfanylbutanimidamide.
What is the SMILES notation for 3-thiophen-2-ylsulfanylbutanimidamide?
The canonical SMILES for 3-thiophen-2-ylsulfanylbutanimidamide is [H]/N=C(\N)CC(C)Sc1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfanylbutanimidamide?
The InChIKey is PIBITCNUCORGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-6(5-7(9)10)12-8-3-2-4-11-8/h2-4,6H,5H2,1H3,(H3,9,10).
What are the key properties of 3-thiophen-2-ylsulfanylbutanimidamide?
3-thiophen-2-ylsulfanylbutanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfanylbutanimidamide is sourced from PubChem (CID 60913846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).