morpholine-4-carbodithioate;morpholin-4-ium

C9H18N2O2S2 — CID 11345717

IUPACmorpholine-4-carbodithioate;morpholin-4-ium
SMILESC1COCC[NH2+]1.S=C([S-])N1CCOCC1
InChIInChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2
InChIKeyMQYWTQLRFOFUSI-UHFFFAOYSA-N
MW250.39 g/mol
LogP-1.27
Rot. Bonds

About morpholine-4-carbodithioate;morpholin-4-ium

morpholine-4-carbodithioate;morpholin-4-ium (PubChem CID 11345717) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is morpholine-4-carbodithioate;morpholin-4-ium.

Molecular Properties

Compound Namemorpholine-4-carbodithioate;morpholin-4-ium
PubChem CID11345717
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Namemorpholine-4-carbodithioate;morpholin-4-ium
SMILESC1COCC[NH2+]1.S=C([S-])N1CCOCC1
InChIInChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2
InChIKeyMQYWTQLRFOFUSI-UHFFFAOYSA-N
XLogP-1.27
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbodithioate;morpholin-4-ium?
The IUPAC name of morpholine-4-carbodithioate;morpholin-4-ium (CID 11345717) is morpholine-4-carbodithioate;morpholin-4-ium.
What is the SMILES notation for morpholine-4-carbodithioate;morpholin-4-ium?
The canonical SMILES for morpholine-4-carbodithioate;morpholin-4-ium is C1COCC[NH2+]1.S=C([S-])N1CCOCC1.
What is the InChIKey of morpholine-4-carbodithioate;morpholin-4-ium?
The InChIKey is MQYWTQLRFOFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2.
What are the key properties of morpholine-4-carbodithioate;morpholin-4-ium?
morpholine-4-carbodithioate;morpholin-4-ium has a molecular weight of 250.39 g/mol, XLogP of -1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbodithioate;morpholin-4-ium is sourced from PubChem (CID 11345717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).