1-butylsulfanylbutane;tributylphosphane

C20H45PS — CID 174884849

IUPAC1-butylsulfanylbutane;tributylphosphane
SMILESCCCCP(CCCC)CCCC.CCCCSCCCC
InChIInChI=1S/C12H27P.C8H18S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2/h4-12H2,1-3H3;3-8H2,1-2H3
InChIKeyJUFYRKVJZHSZGN-UHFFFAOYSA-N
MW348.62 g/mol
LogP8.19
Rot. Bonds15

About 1-butylsulfanylbutane;tributylphosphane

1-butylsulfanylbutane;tributylphosphane (PubChem CID 174884849) has the molecular formula C20H45PS and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-butylsulfanylbutane;tributylphosphane.

Molecular Properties

Compound Name1-butylsulfanylbutane;tributylphosphane
PubChem CID174884849
Molecular FormulaC20H45PS
Molecular Weight348.62 g/mol
Exact Mass348.30
IUPAC Name1-butylsulfanylbutane;tributylphosphane
SMILESCCCCP(CCCC)CCCC.CCCCSCCCC
InChIInChI=1S/C12H27P.C8H18S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2/h4-12H2,1-3H3;3-8H2,1-2H3
InChIKeyJUFYRKVJZHSZGN-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 58.19
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

azane;tributylphosphane
CID 87538509
1-butylsulfanylbutane;hydroiodide
CID 160789075
gold;tributylphosphane
CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
CID 88794374
CID 88794374
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(decyl)phosphane
CID 171559269

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanylbutane;tributylphosphane?
The IUPAC name of 1-butylsulfanylbutane;tributylphosphane (CID 174884849) is 1-butylsulfanylbutane;tributylphosphane.
What is the SMILES notation for 1-butylsulfanylbutane;tributylphosphane?
The canonical SMILES for 1-butylsulfanylbutane;tributylphosphane is CCCCP(CCCC)CCCC.CCCCSCCCC.
What is the InChIKey of 1-butylsulfanylbutane;tributylphosphane?
The InChIKey is JUFYRKVJZHSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.C8H18S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-7-9-8-6-4-2/h4-12H2,1-3H3;3-8H2,1-2H3.
What are the key properties of 1-butylsulfanylbutane;tributylphosphane?
1-butylsulfanylbutane;tributylphosphane has a molecular weight of 348.62 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanylbutane;tributylphosphane is sourced from PubChem (CID 174884849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).