2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane

C3H6PS4- — CID 23418005

IUPAC2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane
SMILESS=P1([S-])SCCCS1
InChIInChI=1S/C3H7PS4/c5-4(6)7-2-1-3-8-4/h1-3H2,(H,5,6)/p-1
InChIKeyNVXMYFHAUDEQLC-UHFFFAOYSA-M
MW201.32 g/mol
LogP2.63
Rot. Bonds

About 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane

2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane (PubChem CID 23418005) has the molecular formula C3H6PS4- and a molecular weight of 201.32 g/mol. Its IUPAC name is 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane
PubChem CID23418005
Molecular FormulaC3H6PS4-
Molecular Weight201.32 g/mol
Exact Mass200.91
IUPAC Name2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane
SMILESS=P1([S-])SCCCS1
InChIInChI=1S/C3H7PS4/c5-4(6)7-2-1-3-8-4/h1-3H2,(H,5,6)/p-1
InChIKeyNVXMYFHAUDEQLC-UHFFFAOYSA-M
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane (CID 23418005) is 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane is S=P1([S-])SCCCS1.
What is the InChIKey of 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane?
The InChIKey is NVXMYFHAUDEQLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7PS4/c5-4(6)7-2-1-3-8-4/h1-3H2,(H,5,6)/p-1.
What are the key properties of 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane?
2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane has a molecular weight of 201.32 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-2-sulfido-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 23418005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).