propa-1,2-dienyl thiohypochlorite

C3H3ClS — CID 88788162

IUPACpropa-1,2-dienyl thiohypochlorite
SMILESC=C=CSCl
InChIInChI=1S/C3H3ClS/c1-2-3-5-4/h3H,1H2
InChIKeyLAGOKZSVGRFQFK-UHFFFAOYSA-N
MW106.58 g/mol
LogP2.17
Rot. Bonds1

About propa-1,2-dienyl thiohypochlorite

propa-1,2-dienyl thiohypochlorite (PubChem CID 88788162) has the molecular formula C3H3ClS and a molecular weight of 106.58 g/mol. Its IUPAC name is propa-1,2-dienyl thiohypochlorite.

Molecular Properties

Compound Namepropa-1,2-dienyl thiohypochlorite
PubChem CID88788162
Molecular FormulaC3H3ClS
Molecular Weight106.58 g/mol
Exact Mass105.96
IUPAC Namepropa-1,2-dienyl thiohypochlorite
SMILESC=C=CSCl
InChIInChI=1S/C3H3ClS/c1-2-3-5-4/h3H,1H2
InChIKeyLAGOKZSVGRFQFK-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.58
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-dienyl thiohypochlorite?
The IUPAC name of propa-1,2-dienyl thiohypochlorite (CID 88788162) is propa-1,2-dienyl thiohypochlorite.
What is the SMILES notation for propa-1,2-dienyl thiohypochlorite?
The canonical SMILES for propa-1,2-dienyl thiohypochlorite is C=C=CSCl.
What is the InChIKey of propa-1,2-dienyl thiohypochlorite?
The InChIKey is LAGOKZSVGRFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClS/c1-2-3-5-4/h3H,1H2.
What are the key properties of propa-1,2-dienyl thiohypochlorite?
propa-1,2-dienyl thiohypochlorite has a molecular weight of 106.58 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-dienyl thiohypochlorite is sourced from PubChem (CID 88788162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).