ethane;sulfanylidenephosphane

C12H37PS — CID 157091544

IUPACethane;sulfanylidenephosphane
SMILESCC.CC.CC.CC.CC.CC.P=S
InChIInChI=1S/6C2H6.HPS/c7*1-2/h6*1-2H3;1H
InChIKeyAESLHNBBKIANRN-UHFFFAOYSA-N
MW244.47 g/mol
LogP6.75
Rot. Bonds

About ethane;sulfanylidenephosphane

ethane;sulfanylidenephosphane (PubChem CID 157091544) has the molecular formula C12H37PS and a molecular weight of 244.47 g/mol. Its IUPAC name is ethane;sulfanylidenephosphane.

Molecular Properties

Compound Nameethane;sulfanylidenephosphane
PubChem CID157091544
Molecular FormulaC12H37PS
Molecular Weight244.47 g/mol
Exact Mass244.24
IUPAC Nameethane;sulfanylidenephosphane
SMILESCC.CC.CC.CC.CC.CC.P=S
InChIInChI=1S/6C2H6.HPS/c7*1-2/h6*1-2H3;1H
InChIKeyAESLHNBBKIANRN-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.47
LogP ≤ 56.75
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 ethane;sulfanylidenephosphane?
The IUPAC name of ethane;sulfanylidenephosphane (CID 157091544) is ethane;sulfanylidenephosphane.
What is the SMILES notation for ethane;sulfanylidenephosphane?
The canonical SMILES for ethane;sulfanylidenephosphane is CC.CC.CC.CC.CC.CC.P=S.
What is the InChIKey of ethane;sulfanylidenephosphane?
The InChIKey is AESLHNBBKIANRN-UHFFFAOYSA-N. The full InChI is InChI=1S/6C2H6.HPS/c7*1-2/h6*1-2H3;1H.
What are the key properties of ethane;sulfanylidenephosphane?
ethane;sulfanylidenephosphane has a molecular weight of 244.47 g/mol, XLogP of 6.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;sulfanylidenephosphane is sourced from PubChem (CID 157091544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).