phenyl-bis(propylsulfanyl)phosphane

C12H19PS2 — CID 3039388

IUPACphenyl-bis(propylsulfanyl)phosphane
SMILESCCCSP(SCCC)c1ccccc1
InChIInChI=1S/C12H19PS2/c1-3-10-14-13(15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyCZWNDMHKCMXBQR-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.91
Rot. Bonds7

About phenyl-bis(propylsulfanyl)phosphane

phenyl-bis(propylsulfanyl)phosphane (PubChem CID 3039388) has the molecular formula C12H19PS2 and a molecular weight of 258.39 g/mol. Its IUPAC name is phenyl-bis(propylsulfanyl)phosphane.

Molecular Properties

Compound Namephenyl-bis(propylsulfanyl)phosphane
PubChem CID3039388
Molecular FormulaC12H19PS2
Molecular Weight258.39 g/mol
Exact Mass258.07
IUPAC Namephenyl-bis(propylsulfanyl)phosphane
SMILESCCCSP(SCCC)c1ccccc1
InChIInChI=1S/C12H19PS2/c1-3-10-14-13(15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyCZWNDMHKCMXBQR-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-bis(propylsulfanyl)phosphane?
The IUPAC name of phenyl-bis(propylsulfanyl)phosphane (CID 3039388) is phenyl-bis(propylsulfanyl)phosphane.
What is the SMILES notation for phenyl-bis(propylsulfanyl)phosphane?
The canonical SMILES for phenyl-bis(propylsulfanyl)phosphane is CCCSP(SCCC)c1ccccc1.
What is the InChIKey of phenyl-bis(propylsulfanyl)phosphane?
The InChIKey is CZWNDMHKCMXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19PS2/c1-3-10-14-13(15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of phenyl-bis(propylsulfanyl)phosphane?
phenyl-bis(propylsulfanyl)phosphane has a molecular weight of 258.39 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(propylsulfanyl)phosphane is sourced from PubChem (CID 3039388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).