2-thiophen-2-ylsulfanylethanimidamide

C6H8N2S2 — CID 28602932

IUPAC2-thiophen-2-ylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1cccs1
InChIInChI=1S/C6H8N2S2/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H3,7,8)
InChIKeyCPBWDZHZXMPXHQ-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.78
Rot. Bonds3

About 2-thiophen-2-ylsulfanylethanimidamide

2-thiophen-2-ylsulfanylethanimidamide (PubChem CID 28602932) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylethanimidamide.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylethanimidamide
PubChem CID28602932
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-thiophen-2-ylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1cccs1
InChIInChI=1S/C6H8N2S2/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H3,7,8)
InChIKeyCPBWDZHZXMPXHQ-UHFFFAOYSA-N
XLogP1.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.78
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 2-thiophen-2-ylsulfanylethanimidamide?
The IUPAC name of 2-thiophen-2-ylsulfanylethanimidamide (CID 28602932) is 2-thiophen-2-ylsulfanylethanimidamide.
What is the SMILES notation for 2-thiophen-2-ylsulfanylethanimidamide?
The canonical SMILES for 2-thiophen-2-ylsulfanylethanimidamide is [H]/N=C(\N)CSc1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfanylethanimidamide?
The InChIKey is CPBWDZHZXMPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H3,7,8).
What are the key properties of 2-thiophen-2-ylsulfanylethanimidamide?
2-thiophen-2-ylsulfanylethanimidamide has a molecular weight of 172.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylethanimidamide is sourced from PubChem (CID 28602932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).