2-morpholin-4-ylethylthiourea;dihydrochloride

C7H17Cl2N3OS — CID 3035131

IUPAC2-morpholin-4-ylethylthiourea;dihydrochloride
SMILESCl.Cl.NC(=S)NCCN1CCOCC1
InChIInChI=1S/C7H15N3OS.2ClH/c8-7(12)9-1-2-10-3-5-11-6-4-10;;/h1-6H2,(H3,8,9,12);2*1H
InChIKeyYPCMVUFRXIYZPU-UHFFFAOYSA-N
MW262.21 g/mol
LogP-0.00
Rot. Bonds3

About 2-morpholin-4-ylethylthiourea;dihydrochloride

2-morpholin-4-ylethylthiourea;dihydrochloride (PubChem CID 3035131) has the molecular formula C7H17Cl2N3OS and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-morpholin-4-ylethylthiourea;dihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethylthiourea;dihydrochloride
PubChem CID3035131
Molecular FormulaC7H17Cl2N3OS
Molecular Weight262.21 g/mol
Exact Mass261.05
IUPAC Name2-morpholin-4-ylethylthiourea;dihydrochloride
SMILESCl.Cl.NC(=S)NCCN1CCOCC1
InChIInChI=1S/C7H15N3OS.2ClH/c8-7(12)9-1-2-10-3-5-11-6-4-10;;/h1-6H2,(H3,8,9,12);2*1H
InChIKeyYPCMVUFRXIYZPU-UHFFFAOYSA-N
XLogP-0.00
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylethylthiourea;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethylthiourea;dihydrochloride?
The IUPAC name of 2-morpholin-4-ylethylthiourea;dihydrochloride (CID 3035131) is 2-morpholin-4-ylethylthiourea;dihydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethylthiourea;dihydrochloride?
The canonical SMILES for 2-morpholin-4-ylethylthiourea;dihydrochloride is Cl.Cl.NC(=S)NCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethylthiourea;dihydrochloride?
The InChIKey is YPCMVUFRXIYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS.2ClH/c8-7(12)9-1-2-10-3-5-11-6-4-10;;/h1-6H2,(H3,8,9,12);2*1H.
What are the key properties of 2-morpholin-4-ylethylthiourea;dihydrochloride?
2-morpholin-4-ylethylthiourea;dihydrochloride has a molecular weight of 262.21 g/mol, XLogP of -0.00, 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;dihydrochloride is sourced from PubChem (CID 3035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).