butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane

C11H22Br3O2PS — CID 54267046

IUPACbutoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane
SMILESCCCCCP(=S)(OCCCC)OCC(Br)(Br)Br
InChIInChI=1S/C11H22Br3O2PS/c1-3-5-7-9-17(18,15-8-6-4-2)16-10-11(12,13)14/h3-10H2,1-2H3
InChIKeyRHMPXWGUOZPTSD-UHFFFAOYSA-N
MW489.05 g/mol
LogP6.16
Rot. Bonds10

About butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane

butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane (PubChem CID 54267046) has the molecular formula C11H22Br3O2PS and a molecular weight of 489.05 g/mol. Its IUPAC name is butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane
PubChem CID54267046
Molecular FormulaC11H22Br3O2PS
Molecular Weight489.05 g/mol
Exact Mass485.86
IUPAC Namebutoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane
SMILESCCCCCP(=S)(OCCCC)OCC(Br)(Br)Br
InChIInChI=1S/C11H22Br3O2PS/c1-3-5-7-9-17(18,15-8-6-4-2)16-10-11(12,13)14/h3-10H2,1-2H3
InChIKeyRHMPXWGUOZPTSD-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.05
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-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

azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
1-dibutoxyphosphoryloctacosane
CID 141204672
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594

Frequently Asked Questions

What is the IUPAC name of butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane?
The IUPAC name of butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane (CID 54267046) is butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane.
What is the SMILES notation for butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane?
The canonical SMILES for butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane is CCCCCP(=S)(OCCCC)OCC(Br)(Br)Br.
What is the InChIKey of butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane?
The InChIKey is RHMPXWGUOZPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br3O2PS/c1-3-5-7-9-17(18,15-8-6-4-2)16-10-11(12,13)14/h3-10H2,1-2H3.
What are the key properties of butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane?
butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane has a molecular weight of 489.05 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-pentyl-sulfanylidene-(2,2,2-tribromoethoxy)-λ5-phosphane is sourced from PubChem (CID 54267046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).