dioxidophosphinothioylmethanedithioate

CO2PS3-3 — CID 15956678

IUPACdioxidophosphinothioylmethanedithioate
SMILES[O-]P([O-])(=S)C(=S)[S-]
InChIInChI=1S/CH3O2PS3/c2-4(3,7)1(5)6/h(H,5,6)(H2,2,3,7)/p-3
InChIKeyPYHDHXRQQUKNDW-UHFFFAOYSA-K
MW171.18 g/mol
LogP-1.15
Rot. Bonds1

About dioxidophosphinothioylmethanedithioate

dioxidophosphinothioylmethanedithioate (PubChem CID 15956678) has the molecular formula CO2PS3-3 and a molecular weight of 171.18 g/mol. Its IUPAC name is dioxidophosphinothioylmethanedithioate.

Molecular Properties

Compound Namedioxidophosphinothioylmethanedithioate
PubChem CID15956678
Molecular FormulaCO2PS3-3
Molecular Weight171.18 g/mol
Exact Mass170.88
IUPAC Namedioxidophosphinothioylmethanedithioate
SMILES[O-]P([O-])(=S)C(=S)[S-]
InChIInChI=1S/CH3O2PS3/c2-4(3,7)1(5)6/h(H,5,6)(H2,2,3,7)/p-3
InChIKeyPYHDHXRQQUKNDW-UHFFFAOYSA-K
XLogP-1.15
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxidophosphinothioylmethanedithioate?
The IUPAC name of dioxidophosphinothioylmethanedithioate (CID 15956678) is dioxidophosphinothioylmethanedithioate.
What is the SMILES notation for dioxidophosphinothioylmethanedithioate?
The canonical SMILES for dioxidophosphinothioylmethanedithioate is [O-]P([O-])(=S)C(=S)[S-].
What is the InChIKey of dioxidophosphinothioylmethanedithioate?
The InChIKey is PYHDHXRQQUKNDW-UHFFFAOYSA-K. The full InChI is InChI=1S/CH3O2PS3/c2-4(3,7)1(5)6/h(H,5,6)(H2,2,3,7)/p-3.
What are the key properties of dioxidophosphinothioylmethanedithioate?
dioxidophosphinothioylmethanedithioate has a molecular weight of 171.18 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidophosphinothioylmethanedithioate is sourced from PubChem (CID 15956678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).