ethane;1-morpholin-4-ylethanethione

C8H17NOS — CID 142226083

IUPACethane;1-morpholin-4-ylethanethione
SMILESCC.CC(=S)N1CCOCC1
InChIInChI=1S/C6H11NOS.C2H6/c1-6(9)7-2-4-8-5-3-7;1-2/h2-5H2,1H3;1-2H3
InChIKeyMYOIIESMVPKPSW-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.69
Rot. Bonds

About ethane;1-morpholin-4-ylethanethione

ethane;1-morpholin-4-ylethanethione (PubChem CID 142226083) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is ethane;1-morpholin-4-ylethanethione.

Molecular Properties

Compound Nameethane;1-morpholin-4-ylethanethione
PubChem CID142226083
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Nameethane;1-morpholin-4-ylethanethione
SMILESCC.CC(=S)N1CCOCC1
InChIInChI=1S/C6H11NOS.C2H6/c1-6(9)7-2-4-8-5-3-7;1-2/h2-5H2,1H3;1-2H3
InChIKeyMYOIIESMVPKPSW-UHFFFAOYSA-N
XLogP1.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-morpholin-4-ylethanethione 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 ethane;1-morpholin-4-ylethanethione?
The IUPAC name of ethane;1-morpholin-4-ylethanethione (CID 142226083) is ethane;1-morpholin-4-ylethanethione.
What is the SMILES notation for ethane;1-morpholin-4-ylethanethione?
The canonical SMILES for ethane;1-morpholin-4-ylethanethione is CC.CC(=S)N1CCOCC1.
What is the InChIKey of ethane;1-morpholin-4-ylethanethione?
The InChIKey is MYOIIESMVPKPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS.C2H6/c1-6(9)7-2-4-8-5-3-7;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-morpholin-4-ylethanethione?
ethane;1-morpholin-4-ylethanethione has a molecular weight of 175.30 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-morpholin-4-ylethanethione is sourced from PubChem (CID 142226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).