methane;sulfanylidenephosphane;decakis(tritium monohydride)

C32H149PS — CID 159931567

IUPACmethane;sulfanylidenephosphane;decakis(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.P=S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/32CH4.HPS.10H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;/h32*1H4;1H;10*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*1+2
InChIKeyNZSABSZFDVKHBJ-LYQBLYHGSA-N
MW617.67 g/mol
LogP23.41
Rot. Bonds

About methane;sulfanylidenephosphane;decakis(tritium monohydride)

methane;sulfanylidenephosphane;decakis(tritium monohydride) (PubChem CID 159931567) has the molecular formula C32H149PS and a molecular weight of 617.67 g/mol. Its IUPAC name is methane;sulfanylidenephosphane;decakis(tritium monohydride).

Molecular Properties

Compound Namemethane;sulfanylidenephosphane;decakis(tritium monohydride)
PubChem CID159931567
Molecular FormulaC32H149PS
Molecular Weight617.67 g/mol
Exact Mass617.19
IUPAC Namemethane;sulfanylidenephosphane;decakis(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.P=S.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H]
InChIInChI=1S/32CH4.HPS.10H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;/h32*1H4;1H;10*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*1+2
InChIKeyNZSABSZFDVKHBJ-LYQBLYHGSA-N
XLogP23.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.67
LogP ≤ 523.41
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;decakis(tritium monohydride)?
The IUPAC name of methane;sulfanylidenephosphane;decakis(tritium monohydride) (CID 159931567) is methane;sulfanylidenephosphane;decakis(tritium monohydride).
What is the SMILES notation for methane;sulfanylidenephosphane;decakis(tritium monohydride)?
The canonical SMILES for methane;sulfanylidenephosphane;decakis(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.P=S.[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;decakis(tritium monohydride)?
The InChIKey is NZSABSZFDVKHBJ-LYQBLYHGSA-N. The full InChI is InChI=1S/32CH4.HPS.10H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;;;;;;;;;/h32*1H4;1H;10*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*1+2.
What are the key properties of methane;sulfanylidenephosphane;decakis(tritium monohydride)?
methane;sulfanylidenephosphane;decakis(tritium monohydride) has a molecular weight of 617.67 g/mol, XLogP of 23.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfanylidenephosphane;decakis(tritium monohydride) is sourced from PubChem (CID 159931567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).