2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride

C6H7ClN2S — CID 142626139

IUPAC2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride
SMILESCl.N#CCc1sccc1N
InChIInChI=1S/C6H6N2S.ClH/c7-3-1-6-5(8)2-4-9-6;/h2,4H,1,8H2;1H
InChIKeyFXHIEDORAAGSAA-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.82
Rot. Bonds1

About 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride

2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride (PubChem CID 142626139) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride
PubChem CID142626139
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride
SMILESCl.N#CCc1sccc1N
InChIInChI=1S/C6H6N2S.ClH/c7-3-1-6-5(8)2-4-9-6;/h2,4H,1,8H2;1H
InChIKeyFXHIEDORAAGSAA-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride?
The IUPAC name of 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride (CID 142626139) is 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride is Cl.N#CCc1sccc1N.
What is the InChIKey of 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride?
The InChIKey is FXHIEDORAAGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S.ClH/c7-3-1-6-5(8)2-4-9-6;/h2,4H,1,8H2;1H.
What are the key properties of 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride?
2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride has a molecular weight of 174.66 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminothiophen-2-yl)acetonitrile;hydrochloride is sourced from PubChem (CID 142626139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).