2-(ethylamino)ethanethial

C4H9NS — CID 22995262

IUPAC2-(ethylamino)ethanethial
SMILESCCNCC=S
InChIInChI=1S/C4H9NS/c1-2-5-3-4-6/h4-5H,2-3H2,1H3
InChIKeyGYSPKIAAWXFXBM-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.60
Rot. Bonds3

About 2-(ethylamino)ethanethial

2-(ethylamino)ethanethial (PubChem CID 22995262) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 2-(ethylamino)ethanethial.

Molecular Properties

Compound Name2-(ethylamino)ethanethial
PubChem CID22995262
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name2-(ethylamino)ethanethial
SMILESCCNCC=S
InChIInChI=1S/C4H9NS/c1-2-5-3-4-6/h4-5H,2-3H2,1H3
InChIKeyGYSPKIAAWXFXBM-UHFFFAOYSA-N
XLogP0.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.60
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?
The IUPAC name of 2-(ethylamino)ethanethial (CID 22995262) is 2-(ethylamino)ethanethial.
What is the SMILES notation for 2-(ethylamino)ethanethial?
The canonical SMILES for 2-(ethylamino)ethanethial is CCNCC=S.
What is the InChIKey of 2-(ethylamino)ethanethial?
The InChIKey is GYSPKIAAWXFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-2-5-3-4-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)ethanethial?
2-(ethylamino)ethanethial has a molecular weight of 103.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanethial is sourced from PubChem (CID 22995262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).