2-sulfanylidenethiaphosphetan-2-ium

C2H4PS2+ — CID 154700973

IUPAC2-sulfanylidenethiaphosphetan-2-ium
SMILESS=[P+]1CCS1
InChIInChI=1S/C2H4PS2/c4-3-1-2-5-3/h1-2H2/q+1
InChIKeyKOASMRGLVFGXDF-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.59
Rot. Bonds

About 2-sulfanylidenethiaphosphetan-2-ium

2-sulfanylidenethiaphosphetan-2-ium (PubChem CID 154700973) has the molecular formula C2H4PS2+ and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-sulfanylidenethiaphosphetan-2-ium.

Molecular Properties

Compound Name2-sulfanylidenethiaphosphetan-2-ium
PubChem CID154700973
Molecular FormulaC2H4PS2+
Molecular Weight123.16 g/mol
Exact Mass122.95
IUPAC Name2-sulfanylidenethiaphosphetan-2-ium
SMILESS=[P+]1CCS1
InChIInChI=1S/C2H4PS2/c4-3-1-2-5-3/h1-2H2/q+1
InChIKeyKOASMRGLVFGXDF-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidenethiaphosphetan-2-ium?
The IUPAC name of 2-sulfanylidenethiaphosphetan-2-ium (CID 154700973) is 2-sulfanylidenethiaphosphetan-2-ium.
What is the SMILES notation for 2-sulfanylidenethiaphosphetan-2-ium?
The canonical SMILES for 2-sulfanylidenethiaphosphetan-2-ium is S=[P+]1CCS1.
What is the InChIKey of 2-sulfanylidenethiaphosphetan-2-ium?
The InChIKey is KOASMRGLVFGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4PS2/c4-3-1-2-5-3/h1-2H2/q+1.
What are the key properties of 2-sulfanylidenethiaphosphetan-2-ium?
2-sulfanylidenethiaphosphetan-2-ium has a molecular weight of 123.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidenethiaphosphetan-2-ium is sourced from PubChem (CID 154700973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).