2-amino-1-thiophen-2-ylethanone;hydrochloride

C6H8ClNOS — CID 12609833

IUPAC2-amino-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.NCC(=O)c1cccs1
InChIInChI=1S/C6H7NOS.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3H,4,7H2;1H
InChIKeyRNJUEQIEGMCUJF-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-1-thiophen-2-ylethanone;hydrochloride

2-amino-1-thiophen-2-ylethanone;hydrochloride (PubChem CID 12609833) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-amino-1-thiophen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-thiophen-2-ylethanone;hydrochloride
PubChem CID12609833
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-amino-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.NCC(=O)c1cccs1
InChIInChI=1S/C6H7NOS.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3H,4,7H2;1H
InChIKeyRNJUEQIEGMCUJF-UHFFFAOYSA-N
XLogP1.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thiophen-2-ylethanone;hydrochloride?
The IUPAC name of 2-amino-1-thiophen-2-ylethanone;hydrochloride (CID 12609833) is 2-amino-1-thiophen-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-thiophen-2-ylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-thiophen-2-ylethanone;hydrochloride is Cl.NCC(=O)c1cccs1.
What is the InChIKey of 2-amino-1-thiophen-2-ylethanone;hydrochloride?
The InChIKey is RNJUEQIEGMCUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3H,4,7H2;1H.
What are the key properties of 2-amino-1-thiophen-2-ylethanone;hydrochloride?
2-amino-1-thiophen-2-ylethanone;hydrochloride has a molecular weight of 177.66 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiophen-2-ylethanone;hydrochloride is sourced from PubChem (CID 12609833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).