butane;ethane;sulfanylidenephosphane

C14H43P3S3 — CID 159811722

IUPACbutane;ethane;sulfanylidenephosphane
SMILESCC.CC.CC.CC.CC.CCCC.P=S.P=S.P=S
InChIInChI=1S/C4H10.5C2H6.3HPS/c1-3-4-2;8*1-2/h3-4H2,1-2H3;5*1-2H3;3*1H
InChIKeyNLCMVKRKYAZDDZ-UHFFFAOYSA-N
MW400.62 g/mol
LogP8.71
Rot. Bonds1

About butane;ethane;sulfanylidenephosphane

butane;ethane;sulfanylidenephosphane (PubChem CID 159811722) has the molecular formula C14H43P3S3 and a molecular weight of 400.62 g/mol. Its IUPAC name is butane;ethane;sulfanylidenephosphane.

Molecular Properties

Compound Namebutane;ethane;sulfanylidenephosphane
PubChem CID159811722
Molecular FormulaC14H43P3S3
Molecular Weight400.62 g/mol
Exact Mass400.17
IUPAC Namebutane;ethane;sulfanylidenephosphane
SMILESCC.CC.CC.CC.CC.CCCC.P=S.P=S.P=S
InChIInChI=1S/C4H10.5C2H6.3HPS/c1-3-4-2;8*1-2/h3-4H2,1-2H3;5*1-2H3;3*1H
InChIKeyNLCMVKRKYAZDDZ-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.62
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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butane;dihydrochloride
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butane;neodymium
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butane;methane
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butane;sulfane
CID 162203569

Frequently Asked Questions

What is the IUPAC name of butane;ethane;sulfanylidenephosphane?
The IUPAC name of butane;ethane;sulfanylidenephosphane (CID 159811722) is butane;ethane;sulfanylidenephosphane.
What is the SMILES notation for butane;ethane;sulfanylidenephosphane?
The canonical SMILES for butane;ethane;sulfanylidenephosphane is CC.CC.CC.CC.CC.CCCC.P=S.P=S.P=S.
What is the InChIKey of butane;ethane;sulfanylidenephosphane?
The InChIKey is NLCMVKRKYAZDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.5C2H6.3HPS/c1-3-4-2;8*1-2/h3-4H2,1-2H3;5*1-2H3;3*1H.
What are the key properties of butane;ethane;sulfanylidenephosphane?
butane;ethane;sulfanylidenephosphane has a molecular weight of 400.62 g/mol, XLogP of 8.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;sulfanylidenephosphane is sourced from PubChem (CID 159811722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).