butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane

C6H15O3PS — CID 23335262

IUPACbutoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(O)(=S)OCC
InChIInChI=1S/C6H15O3PS/c1-3-5-6-9-10(7,11)8-4-2/h3-6H2,1-2H3,(H,7,11)
InChIKeyNKWPSWBBYBSEQR-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.06
Rot. Bonds6

About butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane

butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 23335262) has the molecular formula C6H15O3PS and a molecular weight of 198.22 g/mol. Its IUPAC name is butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID23335262
Molecular FormulaC6H15O3PS
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Namebutoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(O)(=S)OCC
InChIInChI=1S/C6H15O3PS/c1-3-5-6-9-10(7,11)8-4-2/h3-6H2,1-2H3,(H,7,11)
InChIKeyNKWPSWBBYBSEQR-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.06
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'}

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Related Compounds

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083
CID 156594251
CID 156594251
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
dibutyl hydrogen phosphate
CID 158586372
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119

Frequently Asked Questions

What is the IUPAC name of butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane (CID 23335262) is butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane is CCCCOP(O)(=S)OCC.
What is the InChIKey of butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is NKWPSWBBYBSEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS/c1-3-5-6-9-10(7,11)8-4-2/h3-6H2,1-2H3,(H,7,11).
What are the key properties of butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane?
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 198.22 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23335262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).