butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane

C8H19O2PS — CID 88675166

IUPACbutoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(O)(=S)CCCC
InChIInChI=1S/C8H19O2PS/c1-3-5-7-10-11(9,12)8-6-4-2/h3-8H2,1-2H3,(H,9,12)
InChIKeyHOONRJFAKKQBNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.90
Rot. Bonds7

About butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane

butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 88675166) has the molecular formula C8H19O2PS and a molecular weight of 210.28 g/mol. Its IUPAC name is butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID88675166
Molecular FormulaC8H19O2PS
Molecular Weight210.28 g/mol
Exact Mass210.08
IUPAC Namebutoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOP(O)(=S)CCCC
InChIInChI=1S/C8H19O2PS/c1-3-5-7-10-11(9,12)8-6-4-2/h3-8H2,1-2H3,(H,9,12)
InChIKeyHOONRJFAKKQBNU-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
dibutyl hydrogen phosphate
CID 158586372
CID 156594251
CID 156594251
azane;butyl dihydrogen phosphate
CID 173333807
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
butoxy(tert-butyl)phosphinic acid
CID 15271226
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
butyl(hexoxy)phosphinic acid
CID 15271220

Frequently Asked Questions

What is the IUPAC name of butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane (CID 88675166) is butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane is CCCCOP(O)(=S)CCCC.
What is the InChIKey of butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is HOONRJFAKKQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS/c1-3-5-7-10-11(9,12)8-6-4-2/h3-8H2,1-2H3,(H,9,12).
What are the key properties of butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane?
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 210.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88675166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).