2-morpholin-4-ylethylthiourea

C7H15N3OS — CID 2760134

IUPAC2-morpholin-4-ylethylthiourea
SMILESNC(=S)NCCN1CCOCC1
InChIInChI=1S/C7H15N3OS/c8-7(12)9-1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9,12)
InChIKeyMIVHEVIWHMEELG-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.85
Rot. Bonds3

About 2-morpholin-4-ylethylthiourea

2-morpholin-4-ylethylthiourea (PubChem CID 2760134) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethylthiourea.

Molecular Properties

Compound Name2-morpholin-4-ylethylthiourea
PubChem CID2760134
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-morpholin-4-ylethylthiourea
SMILESNC(=S)NCCN1CCOCC1
InChIInChI=1S/C7H15N3OS/c8-7(12)9-1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9,12)
InChIKeyMIVHEVIWHMEELG-UHFFFAOYSA-N
XLogP-0.85
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-morpholin-4-ylethylthiourea?
The IUPAC name of 2-morpholin-4-ylethylthiourea (CID 2760134) is 2-morpholin-4-ylethylthiourea.
What is the SMILES notation for 2-morpholin-4-ylethylthiourea?
The canonical SMILES for 2-morpholin-4-ylethylthiourea is NC(=S)NCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethylthiourea?
The InChIKey is MIVHEVIWHMEELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c8-7(12)9-1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9,12).
What are the key properties of 2-morpholin-4-ylethylthiourea?
2-morpholin-4-ylethylthiourea has a molecular weight of 189.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethylthiourea is sourced from PubChem (CID 2760134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).