propan-2-yl thiohypochlorite

C3H7ClS — CID 11116012

IUPACpropan-2-yl thiohypochlorite
SMILESCC(C)SCl
InChIInChI=1S/C3H7ClS/c1-3(2)5-4/h3H,1-2H3
InChIKeyMAUIZVRLYLDWDK-UHFFFAOYSA-N
MW110.61 g/mol
LogP2.28
Rot. Bonds1

About propan-2-yl thiohypochlorite

propan-2-yl thiohypochlorite (PubChem CID 11116012) has the molecular formula C3H7ClS and a molecular weight of 110.61 g/mol. Its IUPAC name is propan-2-yl thiohypochlorite.

Molecular Properties

Compound Namepropan-2-yl thiohypochlorite
PubChem CID11116012
Molecular FormulaC3H7ClS
Molecular Weight110.61 g/mol
Exact Mass110.00
IUPAC Namepropan-2-yl thiohypochlorite
SMILESCC(C)SCl
InChIInChI=1S/C3H7ClS/c1-3(2)5-4/h3H,1-2H3
InChIKeyMAUIZVRLYLDWDK-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.61
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl thiohypochlorite?
The IUPAC name of propan-2-yl thiohypochlorite (CID 11116012) is propan-2-yl thiohypochlorite.
What is the SMILES notation for propan-2-yl thiohypochlorite?
The canonical SMILES for propan-2-yl thiohypochlorite is CC(C)SCl.
What is the InChIKey of propan-2-yl thiohypochlorite?
The InChIKey is MAUIZVRLYLDWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClS/c1-3(2)5-4/h3H,1-2H3.
What are the key properties of propan-2-yl thiohypochlorite?
propan-2-yl thiohypochlorite has a molecular weight of 110.61 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl thiohypochlorite is sourced from PubChem (CID 11116012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).