morpholin-4-ylmethylidenethiourea

C6H11N3OS — CID 26975110

IUPACmorpholin-4-ylmethylidenethiourea
SMILESNC(=S)N=CN1CCOCC1
InChIInChI=1S/C6H11N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h5H,1-4H2,(H2,7,11)
InChIKeyPCKYSXNRZNCSRU-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.41
Rot. Bonds1

About morpholin-4-ylmethylidenethiourea

morpholin-4-ylmethylidenethiourea (PubChem CID 26975110) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is morpholin-4-ylmethylidenethiourea.

Molecular Properties

Compound Namemorpholin-4-ylmethylidenethiourea
PubChem CID26975110
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Namemorpholin-4-ylmethylidenethiourea
SMILESNC(=S)N=CN1CCOCC1
InChIInChI=1S/C6H11N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h5H,1-4H2,(H2,7,11)
InChIKeyPCKYSXNRZNCSRU-UHFFFAOYSA-N
XLogP-0.41
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethylidenethiourea?
The IUPAC name of morpholin-4-ylmethylidenethiourea (CID 26975110) is morpholin-4-ylmethylidenethiourea.
What is the SMILES notation for morpholin-4-ylmethylidenethiourea?
The canonical SMILES for morpholin-4-ylmethylidenethiourea is NC(=S)N=CN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethylidenethiourea?
The InChIKey is PCKYSXNRZNCSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h5H,1-4H2,(H2,7,11).
What are the key properties of morpholin-4-ylmethylidenethiourea?
morpholin-4-ylmethylidenethiourea has a molecular weight of 173.24 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethylidenethiourea is sourced from PubChem (CID 26975110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).