prop-2-ynoxysulfanyl thiohypochlorite

C3H3ClOS2 — CID 86011324

IUPACprop-2-ynoxysulfanyl thiohypochlorite
SMILESC#CCOSSCl
InChIInChI=1S/C3H3ClOS2/c1-2-3-5-7-6-4/h1H,3H2
InChIKeyRJEINEHUHKXNNQ-UHFFFAOYSA-N
MW154.64 g/mol
LogP2.09
Rot. Bonds3

About prop-2-ynoxysulfanyl thiohypochlorite

prop-2-ynoxysulfanyl thiohypochlorite (PubChem CID 86011324) has the molecular formula C3H3ClOS2 and a molecular weight of 154.64 g/mol. Its IUPAC name is prop-2-ynoxysulfanyl thiohypochlorite.

Molecular Properties

Compound Nameprop-2-ynoxysulfanyl thiohypochlorite
PubChem CID86011324
Molecular FormulaC3H3ClOS2
Molecular Weight154.64 g/mol
Exact Mass153.93
IUPAC Nameprop-2-ynoxysulfanyl thiohypochlorite
SMILESC#CCOSSCl
InChIInChI=1S/C3H3ClOS2/c1-2-3-5-7-6-4/h1H,3H2
InChIKeyRJEINEHUHKXNNQ-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynoxysulfanyl thiohypochlorite?
The IUPAC name of prop-2-ynoxysulfanyl thiohypochlorite (CID 86011324) is prop-2-ynoxysulfanyl thiohypochlorite.
What is the SMILES notation for prop-2-ynoxysulfanyl thiohypochlorite?
The canonical SMILES for prop-2-ynoxysulfanyl thiohypochlorite is C#CCOSSCl.
What is the InChIKey of prop-2-ynoxysulfanyl thiohypochlorite?
The InChIKey is RJEINEHUHKXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClOS2/c1-2-3-5-7-6-4/h1H,3H2.
What are the key properties of prop-2-ynoxysulfanyl thiohypochlorite?
prop-2-ynoxysulfanyl thiohypochlorite has a molecular weight of 154.64 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynoxysulfanyl thiohypochlorite is sourced from PubChem (CID 86011324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).