4-methylpent-3-en-2-yl thiohypochlorite

C6H11ClS — CID 167216241

IUPAC4-methylpent-3-en-2-yl thiohypochlorite
SMILESCC(C)=CC(C)SCl
InChIInChI=1S/C6H11ClS/c1-5(2)4-6(3)8-7/h4,6H,1-3H3
InChIKeyAULWNUOYNSDGEN-UHFFFAOYSA-N
MW150.67 g/mol
LogP3.23
Rot. Bonds2

About 4-methylpent-3-en-2-yl thiohypochlorite

4-methylpent-3-en-2-yl thiohypochlorite (PubChem CID 167216241) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 4-methylpent-3-en-2-yl thiohypochlorite.

Molecular Properties

Compound Name4-methylpent-3-en-2-yl thiohypochlorite
PubChem CID167216241
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name4-methylpent-3-en-2-yl thiohypochlorite
SMILESCC(C)=CC(C)SCl
InChIInChI=1S/C6H11ClS/c1-5(2)4-6(3)8-7/h4,6H,1-3H3
InChIKeyAULWNUOYNSDGEN-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-en-2-yl thiohypochlorite?
The IUPAC name of 4-methylpent-3-en-2-yl thiohypochlorite (CID 167216241) is 4-methylpent-3-en-2-yl thiohypochlorite.
What is the SMILES notation for 4-methylpent-3-en-2-yl thiohypochlorite?
The canonical SMILES for 4-methylpent-3-en-2-yl thiohypochlorite is CC(C)=CC(C)SCl.
What is the InChIKey of 4-methylpent-3-en-2-yl thiohypochlorite?
The InChIKey is AULWNUOYNSDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-5(2)4-6(3)8-7/h4,6H,1-3H3.
What are the key properties of 4-methylpent-3-en-2-yl thiohypochlorite?
4-methylpent-3-en-2-yl thiohypochlorite has a molecular weight of 150.67 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-2-yl thiohypochlorite is sourced from PubChem (CID 167216241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).