dichloro(heptylsulfanyl)phosphane

C7H15Cl2PS — CID 23280615

IUPACdichloro(heptylsulfanyl)phosphane
SMILESCCCCCCCSP(Cl)Cl
InChIInChI=1S/C7H15Cl2PS/c1-2-3-4-5-6-7-11-10(8)9/h2-7H2,1H3
InChIKeyOXGLCEQHZXQADL-UHFFFAOYSA-N
MW233.14 g/mol
LogP5.39
Rot. Bonds7

About dichloro(heptylsulfanyl)phosphane

dichloro(heptylsulfanyl)phosphane (PubChem CID 23280615) has the molecular formula C7H15Cl2PS and a molecular weight of 233.14 g/mol. Its IUPAC name is dichloro(heptylsulfanyl)phosphane.

Molecular Properties

Compound Namedichloro(heptylsulfanyl)phosphane
PubChem CID23280615
Molecular FormulaC7H15Cl2PS
Molecular Weight233.14 g/mol
Exact Mass232.00
IUPAC Namedichloro(heptylsulfanyl)phosphane
SMILESCCCCCCCSP(Cl)Cl
InChIInChI=1S/C7H15Cl2PS/c1-2-3-4-5-6-7-11-10(8)9/h2-7H2,1H3
InChIKeyOXGLCEQHZXQADL-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.14
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
chlorocopper;1-heptylsulfanylheptane
CID 10991120
hexoxy-bis(hexylsulfanyl)phosphane
CID 87318864

Frequently Asked Questions

What is the IUPAC name of dichloro(heptylsulfanyl)phosphane?
The IUPAC name of dichloro(heptylsulfanyl)phosphane (CID 23280615) is dichloro(heptylsulfanyl)phosphane.
What is the SMILES notation for dichloro(heptylsulfanyl)phosphane?
The canonical SMILES for dichloro(heptylsulfanyl)phosphane is CCCCCCCSP(Cl)Cl.
What is the InChIKey of dichloro(heptylsulfanyl)phosphane?
The InChIKey is OXGLCEQHZXQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2PS/c1-2-3-4-5-6-7-11-10(8)9/h2-7H2,1H3.
What are the key properties of dichloro(heptylsulfanyl)phosphane?
dichloro(heptylsulfanyl)phosphane has a molecular weight of 233.14 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(heptylsulfanyl)phosphane is sourced from PubChem (CID 23280615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).