thiomorpholine;hydrochloride

C4H10ClNS — CID 3014410

IUPACthiomorpholine;hydrochloride
SMILESC1CSCCN1.Cl
InChIInChI=1S/C4H9NS.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
InChIKeyQSJAHJYXDRUZMY-UHFFFAOYSA-N
MW139.65 g/mol
LogP0.74
Rot. Bonds

About thiomorpholine;hydrochloride

thiomorpholine;hydrochloride (PubChem CID 3014410) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is thiomorpholine;hydrochloride.

Molecular Properties

Compound Namethiomorpholine;hydrochloride
PubChem CID3014410
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Namethiomorpholine;hydrochloride
SMILESC1CSCCN1.Cl
InChIInChI=1S/C4H9NS.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
InChIKeyQSJAHJYXDRUZMY-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine;hydrochloride?
The IUPAC name of thiomorpholine;hydrochloride (CID 3014410) is thiomorpholine;hydrochloride.
What is the SMILES notation for thiomorpholine;hydrochloride?
The canonical SMILES for thiomorpholine;hydrochloride is C1CSCCN1.Cl.
What is the InChIKey of thiomorpholine;hydrochloride?
The InChIKey is QSJAHJYXDRUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H.
What are the key properties of thiomorpholine;hydrochloride?
thiomorpholine;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine;hydrochloride is sourced from PubChem (CID 3014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).