pyrrolidin-1-yl thiohypochlorite

C4H8ClNS — CID 13147689

IUPACpyrrolidin-1-yl thiohypochlorite
SMILESClSN1CCCC1
InChIInChI=1S/C4H8ClNS/c5-7-6-3-1-2-4-6/h1-4H2
InChIKeyKWVAMPIMKWMCGP-UHFFFAOYSA-N
MW137.64 g/mol
LogP1.88
Rot. Bonds1

About pyrrolidin-1-yl thiohypochlorite

pyrrolidin-1-yl thiohypochlorite (PubChem CID 13147689) has the molecular formula C4H8ClNS and a molecular weight of 137.64 g/mol. Its IUPAC name is pyrrolidin-1-yl thiohypochlorite.

Molecular Properties

Compound Namepyrrolidin-1-yl thiohypochlorite
PubChem CID13147689
Molecular FormulaC4H8ClNS
Molecular Weight137.64 g/mol
Exact Mass137.01
IUPAC Namepyrrolidin-1-yl thiohypochlorite
SMILESClSN1CCCC1
InChIInChI=1S/C4H8ClNS/c5-7-6-3-1-2-4-6/h1-4H2
InChIKeyKWVAMPIMKWMCGP-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.64
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl thiohypochlorite?
The IUPAC name of pyrrolidin-1-yl thiohypochlorite (CID 13147689) is pyrrolidin-1-yl thiohypochlorite.
What is the SMILES notation for pyrrolidin-1-yl thiohypochlorite?
The canonical SMILES for pyrrolidin-1-yl thiohypochlorite is ClSN1CCCC1.
What is the InChIKey of pyrrolidin-1-yl thiohypochlorite?
The InChIKey is KWVAMPIMKWMCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNS/c5-7-6-3-1-2-4-6/h1-4H2.
What are the key properties of pyrrolidin-1-yl thiohypochlorite?
pyrrolidin-1-yl thiohypochlorite has a molecular weight of 137.64 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl thiohypochlorite is sourced from PubChem (CID 13147689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).