chlorosulfanyl bis(methylsulfanyl) phosphate

C2H6ClO4PS3 — CID 88716853

IUPACchlorosulfanyl bis(methylsulfanyl) phosphate
SMILESCSOP(=O)(OSC)OSCl
InChIInChI=1S/C2H6ClO4PS3/c1-9-5-8(4,6-10-2)7-11-3/h1-2H3
InChIKeyCZQYJUQNJQJTSX-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.50
Rot. Bonds6

About chlorosulfanyl bis(methylsulfanyl) phosphate

chlorosulfanyl bis(methylsulfanyl) phosphate (PubChem CID 88716853) has the molecular formula C2H6ClO4PS3 and a molecular weight of 256.69 g/mol. Its IUPAC name is chlorosulfanyl bis(methylsulfanyl) phosphate.

Molecular Properties

Compound Namechlorosulfanyl bis(methylsulfanyl) phosphate
PubChem CID88716853
Molecular FormulaC2H6ClO4PS3
Molecular Weight256.69 g/mol
Exact Mass255.89
IUPAC Namechlorosulfanyl bis(methylsulfanyl) phosphate
SMILESCSOP(=O)(OSC)OSCl
InChIInChI=1S/C2H6ClO4PS3/c1-9-5-8(4,6-10-2)7-11-3/h1-2H3
InChIKeyCZQYJUQNJQJTSX-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorosulfanyl bis(methylsulfanyl) phosphate?
The IUPAC name of chlorosulfanyl bis(methylsulfanyl) phosphate (CID 88716853) is chlorosulfanyl bis(methylsulfanyl) phosphate.
What is the SMILES notation for chlorosulfanyl bis(methylsulfanyl) phosphate?
The canonical SMILES for chlorosulfanyl bis(methylsulfanyl) phosphate is CSOP(=O)(OSC)OSCl.
What is the InChIKey of chlorosulfanyl bis(methylsulfanyl) phosphate?
The InChIKey is CZQYJUQNJQJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO4PS3/c1-9-5-8(4,6-10-2)7-11-3/h1-2H3.
What are the key properties of chlorosulfanyl bis(methylsulfanyl) phosphate?
chlorosulfanyl bis(methylsulfanyl) phosphate has a molecular weight of 256.69 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfanyl bis(methylsulfanyl) phosphate is sourced from PubChem (CID 88716853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).