butylsulfanyl-bis(methylsulfanyl)phosphane

C6H15PS3 — CID 23280626

IUPACbutylsulfanyl-bis(methylsulfanyl)phosphane
SMILESCCCCSP(SC)SC
InChIInChI=1S/C6H15PS3/c1-4-5-6-10-7(8-2)9-3/h4-6H2,1-3H3
InChIKeyFPGPUYUEEIBRJS-UHFFFAOYSA-N
MW214.36 g/mol
LogP4.47
Rot. Bonds6

About butylsulfanyl-bis(methylsulfanyl)phosphane

butylsulfanyl-bis(methylsulfanyl)phosphane (PubChem CID 23280626) has the molecular formula C6H15PS3 and a molecular weight of 214.36 g/mol. Its IUPAC name is butylsulfanyl-bis(methylsulfanyl)phosphane.

Molecular Properties

Compound Namebutylsulfanyl-bis(methylsulfanyl)phosphane
PubChem CID23280626
Molecular FormulaC6H15PS3
Molecular Weight214.36 g/mol
Exact Mass214.01
IUPAC Namebutylsulfanyl-bis(methylsulfanyl)phosphane
SMILESCCCCSP(SC)SC
InChIInChI=1S/C6H15PS3/c1-4-5-6-10-7(8-2)9-3/h4-6H2,1-3H3
InChIKeyFPGPUYUEEIBRJS-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dibutoxy(butylsulfanyl)phosphane
CID 19799721
2-chloroethylphosphonic acid;tris(butylsulfanyl)phosphane
CID 138469903
hexane;methylsulfanylmethane
CID 161474362
dichloro(heptylsulfanyl)phosphane
CID 23280615
hexoxy-bis(hexylsulfanyl)phosphane
CID 87318864
diheptoxy(heptylsulfanyl)phosphane
CID 54315331
1-butylsulfanylbutane;hydroiodide
CID 160789075
1-(butyldisulfanyl)butane;copper
CID 159977501
CID 88794374
CID 88794374
hexane;tris((methyldisulfanyl)methane)
CID 162088093
hexoxy(hexylsulfanyl)phosphinothious acid
CID 87318510
1-butylsulfanylbutane;tributylphosphane
CID 174884849

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-bis(methylsulfanyl)phosphane?
The IUPAC name of butylsulfanyl-bis(methylsulfanyl)phosphane (CID 23280626) is butylsulfanyl-bis(methylsulfanyl)phosphane.
What is the SMILES notation for butylsulfanyl-bis(methylsulfanyl)phosphane?
The canonical SMILES for butylsulfanyl-bis(methylsulfanyl)phosphane is CCCCSP(SC)SC.
What is the InChIKey of butylsulfanyl-bis(methylsulfanyl)phosphane?
The InChIKey is FPGPUYUEEIBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS3/c1-4-5-6-10-7(8-2)9-3/h4-6H2,1-3H3.
What are the key properties of butylsulfanyl-bis(methylsulfanyl)phosphane?
butylsulfanyl-bis(methylsulfanyl)phosphane has a molecular weight of 214.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-bis(methylsulfanyl)phosphane is sourced from PubChem (CID 23280626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).