methane;sulfanylidenephosphane

C80H321PS — CID 157441827

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.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
InChIInChI=1S/80CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h80*1H4;1H
InChIKeyBRTLYTJGENXMPF-UHFFFAOYSA-N
MW1347.49 g/mol
LogP51.48
Rot. Bonds

About methane;sulfanylidenephosphane

methane;sulfanylidenephosphane (PubChem CID 157441827) has the molecular formula C80H321PS and a molecular weight of 1347.49 g/mol. Its IUPAC name is methane;sulfanylidenephosphane.

Molecular Properties

Compound Namemethane;sulfanylidenephosphane
PubChem CID157441827
Molecular FormulaC80H321PS
Molecular Weight1347.49 g/mol
Exact Mass1346.46
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.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
InChIInChI=1S/80CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h80*1H4;1H
InChIKeyBRTLYTJGENXMPF-UHFFFAOYSA-N
XLogP51.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.49
LogP ≤ 551.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Methane;methylphosphane
CID 157096694
Methane;phosphane
CID 157457891
CID 157612050
CID 157612050
Methane;sulfanylidenephosphane;(tritium monohydride)
CID 159125348
Methane;sulfanylidenephosphane;decakis(tritium monohydride)
CID 159931567
Methane;sulfane
CID 160584832
Methane;sulfanylidenephosphane
CID 160780025
Methane;sulfanylidenephosphane
CID 160895383
Methane;sulfanylidenephosphane;icosakis(tritium monohydride)
CID 161215495
Methane;sulfanylidenephosphane
CID 169423977
Methane;sulfanylidenephosphane
CID 169425363
Methane;sulfanylidenephosphane
CID 169425639

Frequently Asked Questions

What is the IUPAC name of methane;sulfanylidenephosphane?
The IUPAC name of methane;sulfanylidenephosphane (CID 157441827) 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.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 BRTLYTJGENXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/80CH4.HPS/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2/h80*1H4;1H.
What are the key properties of methane;sulfanylidenephosphane?
methane;sulfanylidenephosphane has a molecular weight of 1347.49 g/mol, XLogP of 51.48, 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 157441827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).