trichloro(sulfanyloxy)methane

CHCl3OS — CID 154085251

IUPACtrichloro(sulfanyloxy)methane
SMILESSOC(Cl)(Cl)Cl
InChIInChI=1S/CHCl3OS/c2-1(3,4)5-6/h6H
InChIKeyKPXLYGCOMXWUFK-UHFFFAOYSA-N
MW167.44 g/mol
LogP2.18
Rot. Bonds

About trichloro(sulfanyloxy)methane

trichloro(sulfanyloxy)methane (PubChem CID 154085251) has the molecular formula CHCl3OS and a molecular weight of 167.44 g/mol. Its IUPAC name is trichloro(sulfanyloxy)methane.

Molecular Properties

Compound Nametrichloro(sulfanyloxy)methane
PubChem CID154085251
Molecular FormulaCHCl3OS
Molecular Weight167.44 g/mol
Exact Mass165.88
IUPAC Nametrichloro(sulfanyloxy)methane
SMILESSOC(Cl)(Cl)Cl
InChIInChI=1S/CHCl3OS/c2-1(3,4)5-6/h6H
InChIKeyKPXLYGCOMXWUFK-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro(sulfanyloxy)methane?
The IUPAC name of trichloro(sulfanyloxy)methane (CID 154085251) is trichloro(sulfanyloxy)methane.
What is the SMILES notation for trichloro(sulfanyloxy)methane?
The canonical SMILES for trichloro(sulfanyloxy)methane is SOC(Cl)(Cl)Cl.
What is the InChIKey of trichloro(sulfanyloxy)methane?
The InChIKey is KPXLYGCOMXWUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3OS/c2-1(3,4)5-6/h6H.
What are the key properties of trichloro(sulfanyloxy)methane?
trichloro(sulfanyloxy)methane has a molecular weight of 167.44 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(sulfanyloxy)methane is sourced from PubChem (CID 154085251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).