2-thiophen-2-ylethanimidamide;hydrochloride

C6H9ClN2S — CID 42614309

IUPAC2-thiophen-2-ylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1cccs1
InChIInChI=1S/C6H8N2S.ClH/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H3,7,8);1H
InChIKeyHSLBDBXGRIKBMV-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.65
Rot. Bonds2

About 2-thiophen-2-ylethanimidamide;hydrochloride

2-thiophen-2-ylethanimidamide;hydrochloride (PubChem CID 42614309) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-thiophen-2-ylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-thiophen-2-ylethanimidamide;hydrochloride
PubChem CID42614309
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name2-thiophen-2-ylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1cccs1
InChIInChI=1S/C6H8N2S.ClH/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H3,7,8);1H
InChIKeyHSLBDBXGRIKBMV-UHFFFAOYSA-N
XLogP1.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ylethanimidamide;hydrochloride?
The IUPAC name of 2-thiophen-2-ylethanimidamide;hydrochloride (CID 42614309) is 2-thiophen-2-ylethanimidamide;hydrochloride.
What is the SMILES notation for 2-thiophen-2-ylethanimidamide;hydrochloride?
The canonical SMILES for 2-thiophen-2-ylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethanimidamide;hydrochloride?
The InChIKey is HSLBDBXGRIKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.ClH/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H3,7,8);1H.
What are the key properties of 2-thiophen-2-ylethanimidamide;hydrochloride?
2-thiophen-2-ylethanimidamide;hydrochloride has a molecular weight of 176.67 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethanimidamide;hydrochloride is sourced from PubChem (CID 42614309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).