5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane

C8H17PS5 — CID 54524649

IUPAC5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane
SMILESSP(S)SCCCCCC1CCSS1
InChIInChI=1S/C8H17PS5/c10-9(11)12-6-3-1-2-4-8-5-7-13-14-8/h8,10-11H,1-7H2
InChIKeyYSGXMOBYUOZCPA-UHFFFAOYSA-N
MW304.53 g/mol
LogP5.52
Rot. Bonds7

About 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane

5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane (PubChem CID 54524649) has the molecular formula C8H17PS5 and a molecular weight of 304.53 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane.

Molecular Properties

Compound Name5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane
PubChem CID54524649
Molecular FormulaC8H17PS5
Molecular Weight304.53 g/mol
Exact Mass303.97
IUPAC Name5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane
SMILESSP(S)SCCCCCC1CCSS1
InChIInChI=1S/C8H17PS5/c10-9(11)12-6-3-1-2-4-8-5-7-13-14-8/h8,10-11H,1-7H2
InChIKeyYSGXMOBYUOZCPA-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.53
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane?
The IUPAC name of 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane (CID 54524649) is 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane.
What is the SMILES notation for 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane?
The canonical SMILES for 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane is SP(S)SCCCCCC1CCSS1.
What is the InChIKey of 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane?
The InChIKey is YSGXMOBYUOZCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17PS5/c10-9(11)12-6-3-1-2-4-8-5-7-13-14-8/h8,10-11H,1-7H2.
What are the key properties of 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane?
5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane has a molecular weight of 304.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)pentylsulfanyl-bis(sulfanyl)phosphane is sourced from PubChem (CID 54524649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).