3-ethenyliminopent-4-enyl thiohypochlorite

C7H10ClNS — CID 142433499

IUPAC3-ethenyliminopent-4-enyl thiohypochlorite
SMILESC=C/N=C(\C=C)CCSCl
InChIInChI=1S/C7H10ClNS/c1-3-7(9-4-2)5-6-10-8/h3-4H,1-2,5-6H2/b9-7+
InChIKeyRHGYAFSDESKIQP-VQHVLOKHSA-N
MW175.68 g/mol
LogP3.03
Rot. Bonds5

About 3-ethenyliminopent-4-enyl thiohypochlorite

3-ethenyliminopent-4-enyl thiohypochlorite (PubChem CID 142433499) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 3-ethenyliminopent-4-enyl thiohypochlorite.

Molecular Properties

Compound Name3-ethenyliminopent-4-enyl thiohypochlorite
PubChem CID142433499
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name3-ethenyliminopent-4-enyl thiohypochlorite
SMILESC=C/N=C(\C=C)CCSCl
InChIInChI=1S/C7H10ClNS/c1-3-7(9-4-2)5-6-10-8/h3-4H,1-2,5-6H2/b9-7+
InChIKeyRHGYAFSDESKIQP-VQHVLOKHSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyliminopent-4-enyl thiohypochlorite?
The IUPAC name of 3-ethenyliminopent-4-enyl thiohypochlorite (CID 142433499) is 3-ethenyliminopent-4-enyl thiohypochlorite.
What is the SMILES notation for 3-ethenyliminopent-4-enyl thiohypochlorite?
The canonical SMILES for 3-ethenyliminopent-4-enyl thiohypochlorite is C=C/N=C(\C=C)CCSCl.
What is the InChIKey of 3-ethenyliminopent-4-enyl thiohypochlorite?
The InChIKey is RHGYAFSDESKIQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-3-7(9-4-2)5-6-10-8/h3-4H,1-2,5-6H2/b9-7+.
What are the key properties of 3-ethenyliminopent-4-enyl thiohypochlorite?
3-ethenyliminopent-4-enyl thiohypochlorite has a molecular weight of 175.68 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyliminopent-4-enyl thiohypochlorite is sourced from PubChem (CID 142433499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).