2-amino-2-thiophen-2-ylacetonitrile;hydrochloride

C6H7ClN2S — CID 13352456

IUPAC2-amino-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCl.N#CC(N)c1cccs1
InChIInChI=1S/C6H6N2S.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,8H2;1H
InChIKeyUOIZKXFGSDAHOW-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.69
Rot. Bonds1

About 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride

2-amino-2-thiophen-2-ylacetonitrile;hydrochloride (PubChem CID 13352456) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-thiophen-2-ylacetonitrile;hydrochloride
PubChem CID13352456
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-amino-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCl.N#CC(N)c1cccs1
InChIInChI=1S/C6H6N2S.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,8H2;1H
InChIKeyUOIZKXFGSDAHOW-UHFFFAOYSA-N
XLogP1.69
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride?
The IUPAC name of 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride (CID 13352456) is 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride is Cl.N#CC(N)c1cccs1.
What is the InChIKey of 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride?
The InChIKey is UOIZKXFGSDAHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,8H2;1H.
What are the key properties of 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride?
2-amino-2-thiophen-2-ylacetonitrile;hydrochloride has a molecular weight of 174.66 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-2-ylacetonitrile;hydrochloride is sourced from PubChem (CID 13352456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).