N-ethylethanamine;methanedithione

C5H11NS2 — CID 174869918

IUPACN-ethylethanamine;methanedithione
SMILESCCNCC.S=C=S
InChIInChI=1S/C4H11N.CS2/c1-3-5-4-2;2-1-3/h5H,3-4H2,1-2H3;
InChIKeyBQUQYBSIBHPPEU-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.63
Rot. Bonds2

About N-ethylethanamine;methanedithione

N-ethylethanamine;methanedithione (PubChem CID 174869918) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is N-ethylethanamine;methanedithione.

Molecular Properties

Compound NameN-ethylethanamine;methanedithione
PubChem CID174869918
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC NameN-ethylethanamine;methanedithione
SMILESCCNCC.S=C=S
InChIInChI=1S/C4H11N.CS2/c1-3-5-4-2;2-1-3/h5H,3-4H2,1-2H3;
InChIKeyBQUQYBSIBHPPEU-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;methanedithione?
The IUPAC name of N-ethylethanamine;methanedithione (CID 174869918) is N-ethylethanamine;methanedithione.
What is the SMILES notation for N-ethylethanamine;methanedithione?
The canonical SMILES for N-ethylethanamine;methanedithione is CCNCC.S=C=S.
What is the InChIKey of N-ethylethanamine;methanedithione?
The InChIKey is BQUQYBSIBHPPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CS2/c1-3-5-4-2;2-1-3/h5H,3-4H2,1-2H3;.
What are the key properties of N-ethylethanamine;methanedithione?
N-ethylethanamine;methanedithione has a molecular weight of 149.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;methanedithione is sourced from PubChem (CID 174869918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).