methane;sulfanylidenephosphane

C40H161PS — CID 169423977

IUPACmethane;sulfanylidenephosphane
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
InChIInChI=1S/40CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h40*1H4;1H
InChIKeyBBQZCJMAKAGRQP-UHFFFAOYSA-N
MW705.77 g/mol
LogP26.04
Rot. Bonds

About methane;sulfanylidenephosphane

methane;sulfanylidenephosphane (PubChem CID 169423977) has the molecular formula C40H161PS and a molecular weight of 705.77 g/mol. Its IUPAC name is methane;sulfanylidenephosphane.

Molecular Properties

Compound Namemethane;sulfanylidenephosphane
PubChem CID169423977
Molecular FormulaC40H161PS
Molecular Weight705.77 g/mol
Exact Mass705.21
IUPAC Namemethane;sulfanylidenephosphane
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
InChIInChI=1S/40CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h40*1H4;1H
InChIKeyBBQZCJMAKAGRQP-UHFFFAOYSA-N
XLogP26.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.77
LogP ≤ 526.04
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 169423977) 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.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 BBQZCJMAKAGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/40CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h40*1H4;1H.
What are the key properties of methane;sulfanylidenephosphane?
methane;sulfanylidenephosphane has a molecular weight of 705.77 g/mol, XLogP of 26.04, 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 169423977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).