1-(ethylamino)propane-2-thione

C5H11NS — CID 163675659

IUPAC1-(ethylamino)propane-2-thione
SMILESCCNCC(C)=S
InChIInChI=1S/C5H11NS/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3
InChIKeyJGLZVLAYFVREEG-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.99
Rot. Bonds3

About 1-(ethylamino)propane-2-thione

1-(ethylamino)propane-2-thione (PubChem CID 163675659) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-(ethylamino)propane-2-thione.

Molecular Properties

Compound Name1-(ethylamino)propane-2-thione
PubChem CID163675659
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-(ethylamino)propane-2-thione
SMILESCCNCC(C)=S
InChIInChI=1S/C5H11NS/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3
InChIKeyJGLZVLAYFVREEG-UHFFFAOYSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(ethylamino)propane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)propane-2-thione?
The IUPAC name of 1-(ethylamino)propane-2-thione (CID 163675659) is 1-(ethylamino)propane-2-thione.
What is the SMILES notation for 1-(ethylamino)propane-2-thione?
The canonical SMILES for 1-(ethylamino)propane-2-thione is CCNCC(C)=S.
What is the InChIKey of 1-(ethylamino)propane-2-thione?
The InChIKey is JGLZVLAYFVREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3.
What are the key properties of 1-(ethylamino)propane-2-thione?
1-(ethylamino)propane-2-thione has a molecular weight of 117.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)propane-2-thione is sourced from PubChem (CID 163675659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).