2-(ethylamino)ethanethial;hydrochloride

C4H10ClNS — CID 22995261

IUPAC2-(ethylamino)ethanethial;hydrochloride
SMILESCCNCC=S.Cl
InChIInChI=1S/C4H9NS.ClH/c1-2-5-3-4-6;/h4-5H,2-3H2,1H3;1H
InChIKeyPANQEQIMHUJWOT-UHFFFAOYSA-N
MW139.65 g/mol
LogP1.02
Rot. Bonds3

About 2-(ethylamino)ethanethial;hydrochloride

2-(ethylamino)ethanethial;hydrochloride (PubChem CID 22995261) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is 2-(ethylamino)ethanethial;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)ethanethial;hydrochloride
PubChem CID22995261
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Name2-(ethylamino)ethanethial;hydrochloride
SMILESCCNCC=S.Cl
InChIInChI=1S/C4H9NS.ClH/c1-2-5-3-4-6;/h4-5H,2-3H2,1H3;1H
InChIKeyPANQEQIMHUJWOT-UHFFFAOYSA-N
XLogP1.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethanethial;hydrochloride?
The IUPAC name of 2-(ethylamino)ethanethial;hydrochloride (CID 22995261) is 2-(ethylamino)ethanethial;hydrochloride.
What is the SMILES notation for 2-(ethylamino)ethanethial;hydrochloride?
The canonical SMILES for 2-(ethylamino)ethanethial;hydrochloride is CCNCC=S.Cl.
What is the InChIKey of 2-(ethylamino)ethanethial;hydrochloride?
The InChIKey is PANQEQIMHUJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c1-2-5-3-4-6;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 2-(ethylamino)ethanethial;hydrochloride?
2-(ethylamino)ethanethial;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanethial;hydrochloride is sourced from PubChem (CID 22995261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).