methane;sulfanylidenephosphane;icosakis(tritium monohydride)

C60H281PS — CID 161215495

IUPACmethane;sulfanylidenephosphane;icosakis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/60CH4.HPS.20H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;/h60*1H4;1H;20*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2
InChIKeyUWUNQLYHBMFVAZ-IWTWKDCCSA-N
MW1107.11 g/mol
LogP43.68
Rot. Bonds

About methane;sulfanylidenephosphane;icosakis(tritium monohydride)

methane;sulfanylidenephosphane;icosakis(tritium monohydride) (PubChem CID 161215495) has the molecular formula C60H281PS and a molecular weight of 1107.11 g/mol. Its IUPAC name is methane;sulfanylidenephosphane;icosakis(tritium monohydride).

Molecular Properties

Compound Namemethane;sulfanylidenephosphane;icosakis(tritium monohydride)
PubChem CID161215495
Molecular FormulaC60H281PS
Molecular Weight1107.11 g/mol
Exact Mass1106.31
IUPAC Namemethane;sulfanylidenephosphane;icosakis(tritium monohydride)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/60CH4.HPS.20H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;/h60*1H4;1H;20*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2
InChIKeyUWUNQLYHBMFVAZ-IWTWKDCCSA-N
XLogP43.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.11
LogP ≤ 543.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;sulfanylidenephosphane;icosakis(tritium monohydride)?
The IUPAC name of methane;sulfanylidenephosphane;icosakis(tritium monohydride) (CID 161215495) is methane;sulfanylidenephosphane;icosakis(tritium monohydride).
What is the SMILES notation for methane;sulfanylidenephosphane;icosakis(tritium monohydride)?
The canonical SMILES for methane;sulfanylidenephosphane;icosakis(tritium monohydride) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].
What is the InChIKey of methane;sulfanylidenephosphane;icosakis(tritium monohydride)?
The InChIKey is UWUNQLYHBMFVAZ-IWTWKDCCSA-N. The full InChI is InChI=1S/60CH4.HPS.20H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;/h60*1H4;1H;20*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2.
What are the key properties of methane;sulfanylidenephosphane;icosakis(tritium monohydride)?
methane;sulfanylidenephosphane;icosakis(tritium monohydride) has a molecular weight of 1107.11 g/mol, XLogP of 43.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfanylidenephosphane;icosakis(tritium monohydride) is sourced from PubChem (CID 161215495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).