(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine

C5H13NS — CID 163626887

IUPAC(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine
SMILESCC/S(C)=C(\C)N
InChIInChI=1S/C5H13NS/c1-4-7(3)5(2)6/h4,6H2,1-3H3
InChIKeyHSTXWWSOEVEMAE-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.01
Rot. Bonds1

About (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine

(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine (PubChem CID 163626887) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine.

Molecular Properties

Compound Name(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine
PubChem CID163626887
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine
SMILESCC/S(C)=C(\C)N
InChIInChI=1S/C5H13NS/c1-4-7(3)5(2)6/h4,6H2,1-3H3
InChIKeyHSTXWWSOEVEMAE-UHFFFAOYSA-N
XLogP1.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine?
The IUPAC name of (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine (CID 163626887) is (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine.
What is the SMILES notation for (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine?
The canonical SMILES for (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine is CC/S(C)=C(\C)N.
What is the InChIKey of (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine?
The InChIKey is HSTXWWSOEVEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-4-7(3)5(2)6/h4,6H2,1-3H3.
What are the key properties of (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine?
(1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine has a molecular weight of 119.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[ethyl(methyl)-λ4-sulfanylidene]ethanamine is sourced from PubChem (CID 163626887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).