thiomorpholine;trimethylalumane

C7H18AlNS — CID 87884748

IUPACthiomorpholine;trimethylalumane
SMILESC1CSCCN1.C[Al](C)C
InChIInChI=1S/C4H9NS.3CH3.Al/c1-3-6-4-2-5-1;;;;/h5H,1-4H2;3*1H3;
InChIKeyOULMSJLKZRAOCL-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.69
Rot. Bonds

About thiomorpholine;trimethylalumane

thiomorpholine;trimethylalumane (PubChem CID 87884748) has the molecular formula C7H18AlNS and a molecular weight of 175.28 g/mol. Its IUPAC name is thiomorpholine;trimethylalumane.

Molecular Properties

Compound Namethiomorpholine;trimethylalumane
PubChem CID87884748
Molecular FormulaC7H18AlNS
Molecular Weight175.28 g/mol
Exact Mass175.10
IUPAC Namethiomorpholine;trimethylalumane
SMILESC1CSCCN1.C[Al](C)C
InChIInChI=1S/C4H9NS.3CH3.Al/c1-3-6-4-2-5-1;;;;/h5H,1-4H2;3*1H3;
InChIKeyOULMSJLKZRAOCL-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174842484
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Frequently Asked Questions

What is the IUPAC name of thiomorpholine;trimethylalumane?
The IUPAC name of thiomorpholine;trimethylalumane (CID 87884748) is thiomorpholine;trimethylalumane.
What is the SMILES notation for thiomorpholine;trimethylalumane?
The canonical SMILES for thiomorpholine;trimethylalumane is C1CSCCN1.C[Al](C)C.
What is the InChIKey of thiomorpholine;trimethylalumane?
The InChIKey is OULMSJLKZRAOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.3CH3.Al/c1-3-6-4-2-5-1;;;;/h5H,1-4H2;3*1H3;.
What are the key properties of thiomorpholine;trimethylalumane?
thiomorpholine;trimethylalumane has a molecular weight of 175.28 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine;trimethylalumane is sourced from PubChem (CID 87884748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).