4-methylmorpholine-3-thione

C5H9NOS — CID 123944390

IUPAC4-methylmorpholine-3-thione
SMILESCN1CCOCC1=S
InChIInChI=1S/C5H9NOS/c1-6-2-3-7-4-5(6)8/h2-4H2,1H3
InChIKeyOSAFFNRFPDGGMZ-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.28
Rot. Bonds

About 4-methylmorpholine-3-thione

4-methylmorpholine-3-thione (PubChem CID 123944390) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-methylmorpholine-3-thione.

Molecular Properties

Compound Name4-methylmorpholine-3-thione
PubChem CID123944390
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-methylmorpholine-3-thione
SMILESCN1CCOCC1=S
InChIInChI=1S/C5H9NOS/c1-6-2-3-7-4-5(6)8/h2-4H2,1H3
InChIKeyOSAFFNRFPDGGMZ-UHFFFAOYSA-N
XLogP0.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143048322
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CID 143412674
lithium;4-methylmorpholine;chloride
CID 172748649
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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine-3-thione?
The IUPAC name of 4-methylmorpholine-3-thione (CID 123944390) is 4-methylmorpholine-3-thione.
What is the SMILES notation for 4-methylmorpholine-3-thione?
The canonical SMILES for 4-methylmorpholine-3-thione is CN1CCOCC1=S.
What is the InChIKey of 4-methylmorpholine-3-thione?
The InChIKey is OSAFFNRFPDGGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-6-2-3-7-4-5(6)8/h2-4H2,1H3.
What are the key properties of 4-methylmorpholine-3-thione?
4-methylmorpholine-3-thione has a molecular weight of 131.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine-3-thione is sourced from PubChem (CID 123944390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).