butyl hydrogen sulfate;phosphane

C4H13O4PS — CID 173112718

IUPACbutyl hydrogen sulfate;phosphane
SMILESCCCCOS(=O)(=O)O.P
InChIInChI=1S/C4H10O4S.H3P/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);1H3
InChIKeyZOWOIZLPSSIMRS-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.66
Rot. Bonds4

About butyl hydrogen sulfate;phosphane

butyl hydrogen sulfate;phosphane (PubChem CID 173112718) has the molecular formula C4H13O4PS and a molecular weight of 188.18 g/mol. Its IUPAC name is butyl hydrogen sulfate;phosphane.

Molecular Properties

Compound Namebutyl hydrogen sulfate;phosphane
PubChem CID173112718
Molecular FormulaC4H13O4PS
Molecular Weight188.18 g/mol
Exact Mass188.03
IUPAC Namebutyl hydrogen sulfate;phosphane
SMILESCCCCOS(=O)(=O)O.P
InChIInChI=1S/C4H10O4S.H3P/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);1H3
InChIKeyZOWOIZLPSSIMRS-UHFFFAOYSA-N
XLogP0.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

butyl hydrogen sulfate;hydrazine
CID 88762415
butyl hydrogen sulfate;heptane
CID 175360663
butyl hydrogen sulfate;ethoxyethane
CID 89261917
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135

Frequently Asked Questions

What is the IUPAC name of butyl hydrogen sulfate;phosphane?
The IUPAC name of butyl hydrogen sulfate;phosphane (CID 173112718) is butyl hydrogen sulfate;phosphane.
What is the SMILES notation for butyl hydrogen sulfate;phosphane?
The canonical SMILES for butyl hydrogen sulfate;phosphane is CCCCOS(=O)(=O)O.P.
What is the InChIKey of butyl hydrogen sulfate;phosphane?
The InChIKey is ZOWOIZLPSSIMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S.H3P/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);1H3.
What are the key properties of butyl hydrogen sulfate;phosphane?
butyl hydrogen sulfate;phosphane has a molecular weight of 188.18 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl hydrogen sulfate;phosphane is sourced from PubChem (CID 173112718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).