morpholine-4-carbothioamide

C5H10N2OS — CID 2393544

IUPACmorpholine-4-carbothioamide
SMILESNC(=S)N1CCOCC1
InChIInChI=1S/C5H10N2OS/c6-5(9)7-1-3-8-4-2-7/h1-4H2,(H2,6,9)
InChIKeyGSLBUBZXFUYMSW-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.44
Rot. Bonds

About morpholine-4-carbothioamide

morpholine-4-carbothioamide (PubChem CID 2393544) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is morpholine-4-carbothioamide.

Molecular Properties

Compound Namemorpholine-4-carbothioamide
PubChem CID2393544
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Namemorpholine-4-carbothioamide
SMILESNC(=S)N1CCOCC1
InChIInChI=1S/C5H10N2OS/c6-5(9)7-1-3-8-4-2-7/h1-4H2,(H2,6,9)
InChIKeyGSLBUBZXFUYMSW-UHFFFAOYSA-N
XLogP-0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 morpholine-4-carbothioamide?
The IUPAC name of morpholine-4-carbothioamide (CID 2393544) is morpholine-4-carbothioamide.
What is the SMILES notation for morpholine-4-carbothioamide?
The canonical SMILES for morpholine-4-carbothioamide is NC(=S)N1CCOCC1.
What is the InChIKey of morpholine-4-carbothioamide?
The InChIKey is GSLBUBZXFUYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(9)7-1-3-8-4-2-7/h1-4H2,(H2,6,9).
What are the key properties of morpholine-4-carbothioamide?
morpholine-4-carbothioamide has a molecular weight of 146.22 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbothioamide is sourced from PubChem (CID 2393544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).