methane;sulfanylidenephosphane

C16H65PS — CID 169425639

IUPACmethane;sulfanylidenephosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S
InChIInChI=1S/16CH4.HPS/c;;;;;;;;;;;;;;;;1-2/h16*1H4;1H
InChIKeyHFZBCOCNWWWZNX-UHFFFAOYSA-N
MW320.74 g/mol
LogP10.77
Rot. Bonds

About methane;sulfanylidenephosphane

methane;sulfanylidenephosphane (PubChem CID 169425639) has the molecular formula C16H65PS and a molecular weight of 320.74 g/mol. Its IUPAC name is methane;sulfanylidenephosphane.

Molecular Properties

Compound Namemethane;sulfanylidenephosphane
PubChem CID169425639
Molecular FormulaC16H65PS
Molecular Weight320.74 g/mol
Exact Mass320.45
IUPAC Namemethane;sulfanylidenephosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P=S
InChIInChI=1S/16CH4.HPS/c;;;;;;;;;;;;;;;;1-2/h16*1H4;1H
InChIKeyHFZBCOCNWWWZNX-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.74
LogP ≤ 510.77
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 169425639) 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.P=S.
What is the InChIKey of methane;sulfanylidenephosphane?
The InChIKey is HFZBCOCNWWWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/16CH4.HPS/c;;;;;;;;;;;;;;;;1-2/h16*1H4;1H.
What are the key properties of methane;sulfanylidenephosphane?
methane;sulfanylidenephosphane has a molecular weight of 320.74 g/mol, XLogP of 10.77, 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 169425639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).