methane;sulfanylidenephosphane

C21H85PS — CID 160780025

IUPACmethane;sulfanylidenephosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S
InChIInChI=1S/21CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;1-2/h21*1H4;1H
InChIKeySALKBJUFMDIEJH-UHFFFAOYSA-N
MW400.95 g/mol
LogP13.95
Rot. Bonds

About methane;sulfanylidenephosphane

methane;sulfanylidenephosphane (PubChem CID 160780025) has the molecular formula C21H85PS and a molecular weight of 400.95 g/mol. Its IUPAC name is methane;sulfanylidenephosphane.

Molecular Properties

Compound Namemethane;sulfanylidenephosphane
PubChem CID160780025
Molecular FormulaC21H85PS
Molecular Weight400.95 g/mol
Exact Mass400.61
IUPAC Namemethane;sulfanylidenephosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S
InChIInChI=1S/21CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;1-2/h21*1H4;1H
InChIKeySALKBJUFMDIEJH-UHFFFAOYSA-N
XLogP13.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 513.95
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?
The IUPAC name of methane;sulfanylidenephosphane (CID 160780025) is methane;sulfanylidenephosphane.
What is the SMILES notation for methane;sulfanylidenephosphane?
The canonical SMILES for methane;sulfanylidenephosphane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S.
What is the InChIKey of methane;sulfanylidenephosphane?
The InChIKey is SALKBJUFMDIEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/21CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;1-2/h21*1H4;1H.
What are the key properties of methane;sulfanylidenephosphane?
methane;sulfanylidenephosphane has a molecular weight of 400.95 g/mol, XLogP of 13.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfanylidenephosphane is sourced from PubChem (CID 160780025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).