thiomorpholine;trihydrochloride

C4H12Cl3NS — CID 141375398

IUPACthiomorpholine;trihydrochloride
SMILESC1CSCCN1.Cl.Cl.Cl
InChIInChI=1S/C4H9NS.3ClH/c1-3-6-4-2-5-1;;;/h5H,1-4H2;3*1H
InChIKeyZROHPOGLOAZFDD-UHFFFAOYSA-N
MW212.57 g/mol
LogP1.59
Rot. Bonds

About thiomorpholine;trihydrochloride

thiomorpholine;trihydrochloride (PubChem CID 141375398) has the molecular formula C4H12Cl3NS and a molecular weight of 212.57 g/mol. Its IUPAC name is thiomorpholine;trihydrochloride.

Molecular Properties

Compound Namethiomorpholine;trihydrochloride
PubChem CID141375398
Molecular FormulaC4H12Cl3NS
Molecular Weight212.57 g/mol
Exact Mass210.98
IUPAC Namethiomorpholine;trihydrochloride
SMILESC1CSCCN1.Cl.Cl.Cl
InChIInChI=1S/C4H9NS.3ClH/c1-3-6-4-2-5-1;;;/h5H,1-4H2;3*1H
InChIKeyZROHPOGLOAZFDD-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine;trihydrochloride?
The IUPAC name of thiomorpholine;trihydrochloride (CID 141375398) is thiomorpholine;trihydrochloride.
What is the SMILES notation for thiomorpholine;trihydrochloride?
The canonical SMILES for thiomorpholine;trihydrochloride is C1CSCCN1.Cl.Cl.Cl.
What is the InChIKey of thiomorpholine;trihydrochloride?
The InChIKey is ZROHPOGLOAZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.3ClH/c1-3-6-4-2-5-1;;;/h5H,1-4H2;3*1H.
What are the key properties of thiomorpholine;trihydrochloride?
thiomorpholine;trihydrochloride has a molecular weight of 212.57 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine;trihydrochloride is sourced from PubChem (CID 141375398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).