methane;sulfanylidenephosphane;(tritium monohydride)

C40H241PS — CID 159125348

IUPACmethane;sulfanylidenephosphane;(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.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].[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/40CH4.HPS.40H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1H4;1H;40*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;40*1+2
InChIKeyKGEZAZSNNBQEIK-HKQNGFADSA-N
MW866.73 g/mol
LogP35.88
Rot. Bonds

About methane;sulfanylidenephosphane;(tritium monohydride)

methane;sulfanylidenephosphane;(tritium monohydride) (PubChem CID 159125348) has the molecular formula C40H241PS and a molecular weight of 866.73 g/mol. Its IUPAC name is methane;sulfanylidenephosphane;(tritium monohydride).

Molecular Properties

Compound Namemethane;sulfanylidenephosphane;(tritium monohydride)
PubChem CID159125348
Molecular FormulaC40H241PS
Molecular Weight866.73 g/mol
Exact Mass866.16
IUPAC Namemethane;sulfanylidenephosphane;(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.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].[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/40CH4.HPS.40H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1H4;1H;40*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;40*1+2
InChIKeyKGEZAZSNNBQEIK-HKQNGFADSA-N
XLogP35.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.73
LogP ≤ 535.88
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;(tritium monohydride)?
The IUPAC name of methane;sulfanylidenephosphane;(tritium monohydride) (CID 159125348) is methane;sulfanylidenephosphane;(tritium monohydride).
What is the SMILES notation for methane;sulfanylidenephosphane;(tritium monohydride)?
The canonical SMILES for methane;sulfanylidenephosphane;(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.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].[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;(tritium monohydride)?
The InChIKey is KGEZAZSNNBQEIK-HKQNGFADSA-N. The full InChI is InChI=1S/40CH4.HPS.40H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1H4;1H;40*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;40*1+2.
What are the key properties of methane;sulfanylidenephosphane;(tritium monohydride)?
methane;sulfanylidenephosphane;(tritium monohydride) has a molecular weight of 866.73 g/mol, XLogP of 35.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfanylidenephosphane;(tritium monohydride) is sourced from PubChem (CID 159125348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).