thiomorpholin-2-yl thiohypochlorite

C4H8ClNS2 — CID 154410723

IUPACthiomorpholin-2-yl thiohypochlorite
SMILESClSC1CNCCS1
InChIInChI=1S/C4H8ClNS2/c5-8-4-3-6-1-2-7-4/h4,6H,1-3H2
InChIKeyJGFNGMUKKMKYCA-UHFFFAOYSA-N
MW169.70 g/mol
LogP1.54
Rot. Bonds1

About thiomorpholin-2-yl thiohypochlorite

thiomorpholin-2-yl thiohypochlorite (PubChem CID 154410723) has the molecular formula C4H8ClNS2 and a molecular weight of 169.70 g/mol. Its IUPAC name is thiomorpholin-2-yl thiohypochlorite.

Molecular Properties

Compound Namethiomorpholin-2-yl thiohypochlorite
PubChem CID154410723
Molecular FormulaC4H8ClNS2
Molecular Weight169.70 g/mol
Exact Mass168.98
IUPAC Namethiomorpholin-2-yl thiohypochlorite
SMILESClSC1CNCCS1
InChIInChI=1S/C4H8ClNS2/c5-8-4-3-6-1-2-7-4/h4,6H,1-3H2
InChIKeyJGFNGMUKKMKYCA-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.70
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-2-yl thiohypochlorite?
The IUPAC name of thiomorpholin-2-yl thiohypochlorite (CID 154410723) is thiomorpholin-2-yl thiohypochlorite.
What is the SMILES notation for thiomorpholin-2-yl thiohypochlorite?
The canonical SMILES for thiomorpholin-2-yl thiohypochlorite is ClSC1CNCCS1.
What is the InChIKey of thiomorpholin-2-yl thiohypochlorite?
The InChIKey is JGFNGMUKKMKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNS2/c5-8-4-3-6-1-2-7-4/h4,6H,1-3H2.
What are the key properties of thiomorpholin-2-yl thiohypochlorite?
thiomorpholin-2-yl thiohypochlorite has a molecular weight of 169.70 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-2-yl thiohypochlorite is sourced from PubChem (CID 154410723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).