morpholine-2-carbodithioic acid

C5H9NOS2 — CID 21114968

IUPACmorpholine-2-carbodithioic acid
SMILESS=C(S)C1CNCCO1
InChIInChI=1S/C5H9NOS2/c8-5(9)4-3-6-1-2-7-4/h4,6H,1-3H2,(H,8,9)
InChIKeyTXDIDQLUXPADKU-UHFFFAOYSA-N
MW163.27 g/mol
LogP0.23
Rot. Bonds1

About morpholine-2-carbodithioic acid

morpholine-2-carbodithioic acid (PubChem CID 21114968) has the molecular formula C5H9NOS2 and a molecular weight of 163.27 g/mol. Its IUPAC name is morpholine-2-carbodithioic acid.

Molecular Properties

Compound Namemorpholine-2-carbodithioic acid
PubChem CID21114968
Molecular FormulaC5H9NOS2
Molecular Weight163.27 g/mol
Exact Mass163.01
IUPAC Namemorpholine-2-carbodithioic acid
SMILESS=C(S)C1CNCCO1
InChIInChI=1S/C5H9NOS2/c8-5(9)4-3-6-1-2-7-4/h4,6H,1-3H2,(H,8,9)
InChIKeyTXDIDQLUXPADKU-UHFFFAOYSA-N
XLogP0.23
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine-2-carbodithioic acid?
The IUPAC name of morpholine-2-carbodithioic acid (CID 21114968) is morpholine-2-carbodithioic acid.
What is the SMILES notation for morpholine-2-carbodithioic acid?
The canonical SMILES for morpholine-2-carbodithioic acid is S=C(S)C1CNCCO1.
What is the InChIKey of morpholine-2-carbodithioic acid?
The InChIKey is TXDIDQLUXPADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS2/c8-5(9)4-3-6-1-2-7-4/h4,6H,1-3H2,(H,8,9).
What are the key properties of morpholine-2-carbodithioic acid?
morpholine-2-carbodithioic acid has a molecular weight of 163.27 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2-carbodithioic acid is sourced from PubChem (CID 21114968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).