butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane

C6H14ClOPS — CID 23412944

IUPACbutoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(Cl)CC
InChIInChI=1S/C6H14ClOPS/c1-3-5-6-8-9(7,10)4-2/h3-6H2,1-2H3
InChIKeyPLEIDTJSIHCANQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP3.37
Rot. Bonds5

About butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane

butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane (PubChem CID 23412944) has the molecular formula C6H14ClOPS and a molecular weight of 200.67 g/mol. Its IUPAC name is butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
PubChem CID23412944
Molecular FormulaC6H14ClOPS
Molecular Weight200.67 g/mol
Exact Mass200.02
IUPAC Namebutoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(=S)(Cl)CC
InChIInChI=1S/C6H14ClOPS/c1-3-5-6-8-9(7,10)4-2/h3-6H2,1-2H3
InChIKeyPLEIDTJSIHCANQ-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
dibutoxy-(chloromethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 165364450
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212

Frequently Asked Questions

What is the IUPAC name of butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane (CID 23412944) is butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane is CCCCOP(=S)(Cl)CC.
What is the InChIKey of butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane?
The InChIKey is PLEIDTJSIHCANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClOPS/c1-3-5-6-8-9(7,10)4-2/h3-6H2,1-2H3.
What are the key properties of butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane?
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane has a molecular weight of 200.67 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).