morpholin-2-yl morpholine-4-carbodithioate

C9H16N2O2S2 — CID 87708449

IUPACmorpholin-2-yl morpholine-4-carbodithioate
SMILESS=C(SC1CNCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S2/c14-9(11-2-5-12-6-3-11)15-8-7-10-1-4-13-8/h8,10H,1-7H2
InChIKeyQVSRPGXSBYYXPZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.28
Rot. Bonds1

About morpholin-2-yl morpholine-4-carbodithioate

morpholin-2-yl morpholine-4-carbodithioate (PubChem CID 87708449) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is morpholin-2-yl morpholine-4-carbodithioate.

Molecular Properties

Compound Namemorpholin-2-yl morpholine-4-carbodithioate
PubChem CID87708449
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Namemorpholin-2-yl morpholine-4-carbodithioate
SMILESS=C(SC1CNCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O2S2/c14-9(11-2-5-12-6-3-11)15-8-7-10-1-4-13-8/h8,10H,1-7H2
InChIKeyQVSRPGXSBYYXPZ-UHFFFAOYSA-N
XLogP0.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 morpholin-2-yl morpholine-4-carbodithioate?
The IUPAC name of morpholin-2-yl morpholine-4-carbodithioate (CID 87708449) is morpholin-2-yl morpholine-4-carbodithioate.
What is the SMILES notation for morpholin-2-yl morpholine-4-carbodithioate?
The canonical SMILES for morpholin-2-yl morpholine-4-carbodithioate is S=C(SC1CNCCO1)N1CCOCC1.
What is the InChIKey of morpholin-2-yl morpholine-4-carbodithioate?
The InChIKey is QVSRPGXSBYYXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c14-9(11-2-5-12-6-3-11)15-8-7-10-1-4-13-8/h8,10H,1-7H2.
What are the key properties of morpholin-2-yl morpholine-4-carbodithioate?
morpholin-2-yl morpholine-4-carbodithioate has a molecular weight of 248.37 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl morpholine-4-carbodithioate is sourced from PubChem (CID 87708449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).