methylsulfanyl hypochlorite

CH3ClOS — CID 22957926

IUPACmethylsulfanyl hypochlorite
SMILESCSOCl
InChIInChI=1S/CH3ClOS/c1-4-3-2/h1H3
InChIKeyLPBHSEBXIIWCRO-UHFFFAOYSA-N
MW98.55 g/mol
LogP1.43
Rot. Bonds1

About methylsulfanyl hypochlorite

methylsulfanyl hypochlorite (PubChem CID 22957926) has the molecular formula CH3ClOS and a molecular weight of 98.55 g/mol. Its IUPAC name is methylsulfanyl hypochlorite.

Molecular Properties

Compound Namemethylsulfanyl hypochlorite
PubChem CID22957926
Molecular FormulaCH3ClOS
Molecular Weight98.55 g/mol
Exact Mass97.96
IUPAC Namemethylsulfanyl hypochlorite
SMILESCSOCl
InChIInChI=1S/CH3ClOS/c1-4-3-2/h1H3
InChIKeyLPBHSEBXIIWCRO-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.55
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl hypochlorite?
The IUPAC name of methylsulfanyl hypochlorite (CID 22957926) is methylsulfanyl hypochlorite.
What is the SMILES notation for methylsulfanyl hypochlorite?
The canonical SMILES for methylsulfanyl hypochlorite is CSOCl.
What is the InChIKey of methylsulfanyl hypochlorite?
The InChIKey is LPBHSEBXIIWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClOS/c1-4-3-2/h1H3.
What are the key properties of methylsulfanyl hypochlorite?
methylsulfanyl hypochlorite has a molecular weight of 98.55 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl hypochlorite is sourced from PubChem (CID 22957926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).