bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane

C8H17Cl2O3PS — CID 53306789

IUPACbis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OCCCCCl)OCCCCCl
InChIInChI=1S/C8H17Cl2O3PS/c9-5-1-3-7-12-14(11,15)13-8-4-2-6-10/h1-8H2,(H,11,15)
InChIKeyQGGDKAZLDFSHQD-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.27
Rot. Bonds10

About bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane

bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 53306789) has the molecular formula C8H17Cl2O3PS and a molecular weight of 295.17 g/mol. Its IUPAC name is bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID53306789
Molecular FormulaC8H17Cl2O3PS
Molecular Weight295.17 g/mol
Exact Mass294.00
IUPAC Namebis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OCCCCCl)OCCCCCl
InChIInChI=1S/C8H17Cl2O3PS/c9-5-1-3-7-12-14(11,15)13-8-4-2-6-10/h1-8H2,(H,11,15)
InChIKeyQGGDKAZLDFSHQD-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
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'}

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Related Compounds

13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
4-chlorobutoxyphosphonamidic acid
CID 87844580
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
CID 58974551
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412
12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
CID 177366148
6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
CID 177366153
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane (CID 53306789) is bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane is OP(=S)(OCCCCCl)OCCCCCl.
What is the InChIKey of bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is QGGDKAZLDFSHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2O3PS/c9-5-1-3-7-12-14(11,15)13-8-4-2-6-10/h1-8H2,(H,11,15).
What are the key properties of bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane?
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 295.17 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 53306789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).