morpholine-4-carbodithioate;triethylazanium

C11H24N2OS2 — CID 139214251

IUPACmorpholine-4-carbodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])N1CCOCC1
InChIInChI=1S/C6H15N.C5H9NOS2/c1-4-7(5-2)6-3;8-5(9)6-1-3-7-4-2-6/h4-6H2,1-3H3;1-4H2,(H,8,9)
InChIKeyUEHGAXWTXREIMT-UHFFFAOYSA-N
MW264.46 g/mol
LogP0.08
Rot. Bonds3

About morpholine-4-carbodithioate;triethylazanium

morpholine-4-carbodithioate;triethylazanium (PubChem CID 139214251) has the molecular formula C11H24N2OS2 and a molecular weight of 264.46 g/mol. Its IUPAC name is morpholine-4-carbodithioate;triethylazanium.

Molecular Properties

Compound Namemorpholine-4-carbodithioate;triethylazanium
PubChem CID139214251
Molecular FormulaC11H24N2OS2
Molecular Weight264.46 g/mol
Exact Mass264.13
IUPAC Namemorpholine-4-carbodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])N1CCOCC1
InChIInChI=1S/C6H15N.C5H9NOS2/c1-4-7(5-2)6-3;8-5(9)6-1-3-7-4-2-6/h4-6H2,1-3H3;1-4H2,(H,8,9)
InChIKeyUEHGAXWTXREIMT-UHFFFAOYSA-N
XLogP0.08
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-N-((4-morpholinylthioxomethyl)thio)-2-propanamine
CID 94627
2-Morpholinoethylcarbamodithioic acid
CID 57326133
Morpholine-N-dithiocarbamate
CID 72675
N-(2-methoxyethyl)-4-morpholinecarbothioamide
CID 2168459
Morpholinium-morpholin-4-carbodithioat
CID 11345717
Carbamodithioic acid, N-[3-(4-morpholinyl)propyl]-
CID 3085779
[2-(Morpholin-4-yl)ethyl]carbamodithioic acid
CID 3580998
N-methyl-2-(2-morpholin-4-ylethoxy)ethanamine
CID 62336621
Bis(dibutyldithiocarbamato-S,S')(morpholine-N4,O1)zinc
CID 56841417
Zinc dibutylcarbamodithioate--morpholine (1/2/1)
CID 76418879
N-ethylethanamine;morpholine
CID 19963899
N-(2-morpholin-4-ylethyl)ethanethioamide
CID 20696571

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbodithioate;triethylazanium?
The IUPAC name of morpholine-4-carbodithioate;triethylazanium (CID 139214251) is morpholine-4-carbodithioate;triethylazanium.
What is the SMILES notation for morpholine-4-carbodithioate;triethylazanium?
The canonical SMILES for morpholine-4-carbodithioate;triethylazanium is CC[NH+](CC)CC.S=C([S-])N1CCOCC1.
What is the InChIKey of morpholine-4-carbodithioate;triethylazanium?
The InChIKey is UEHGAXWTXREIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H9NOS2/c1-4-7(5-2)6-3;8-5(9)6-1-3-7-4-2-6/h4-6H2,1-3H3;1-4H2,(H,8,9).
What are the key properties of morpholine-4-carbodithioate;triethylazanium?
morpholine-4-carbodithioate;triethylazanium has a molecular weight of 264.46 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbodithioate;triethylazanium is sourced from PubChem (CID 139214251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).