1-morpholin-4-ylprop-2-enylthiourea

C8H15N3OS — CID 87847320

IUPAC1-morpholin-4-ylprop-2-enylthiourea
SMILESC=CC(NC(N)=S)N1CCOCC1
InChIInChI=1S/C8H15N3OS/c1-2-7(10-8(9)13)11-3-5-12-6-4-11/h2,7H,1,3-6H2,(H3,9,10,13)
InChIKeyASFZRELTCZXBCL-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.34
Rot. Bonds3

About 1-morpholin-4-ylprop-2-enylthiourea

1-morpholin-4-ylprop-2-enylthiourea (PubChem CID 87847320) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-morpholin-4-ylprop-2-enylthiourea.

Molecular Properties

Compound Name1-morpholin-4-ylprop-2-enylthiourea
PubChem CID87847320
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-morpholin-4-ylprop-2-enylthiourea
SMILESC=CC(NC(N)=S)N1CCOCC1
InChIInChI=1S/C8H15N3OS/c1-2-7(10-8(9)13)11-3-5-12-6-4-11/h2,7H,1,3-6H2,(H3,9,10,13)
InChIKeyASFZRELTCZXBCL-UHFFFAOYSA-N
XLogP-0.34
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylprop-2-enylthiourea?
The IUPAC name of 1-morpholin-4-ylprop-2-enylthiourea (CID 87847320) is 1-morpholin-4-ylprop-2-enylthiourea.
What is the SMILES notation for 1-morpholin-4-ylprop-2-enylthiourea?
The canonical SMILES for 1-morpholin-4-ylprop-2-enylthiourea is C=CC(NC(N)=S)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylprop-2-enylthiourea?
The InChIKey is ASFZRELTCZXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-7(10-8(9)13)11-3-5-12-6-4-11/h2,7H,1,3-6H2,(H3,9,10,13).
What are the key properties of 1-morpholin-4-ylprop-2-enylthiourea?
1-morpholin-4-ylprop-2-enylthiourea has a molecular weight of 201.29 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylprop-2-enylthiourea is sourced from PubChem (CID 87847320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).