butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane

C5H12ClOPS2 — CID 57280787

IUPACbutylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(Cl)OC
InChIInChI=1S/C5H12ClOPS2/c1-3-4-5-10-8(6,9)7-2/h3-5H2,1-2H3
InChIKeyPHKLHIWIWOZJTF-UHFFFAOYSA-N
MW218.71 g/mol
LogP3.63
Rot. Bonds5

About butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane

butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane (PubChem CID 57280787) has the molecular formula C5H12ClOPS2 and a molecular weight of 218.71 g/mol. Its IUPAC name is butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
PubChem CID57280787
Molecular FormulaC5H12ClOPS2
Molecular Weight218.71 g/mol
Exact Mass217.98
IUPAC Namebutylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(Cl)OC
InChIInChI=1S/C5H12ClOPS2/c1-3-4-5-10-8(6,9)7-2/h3-5H2,1-2H3
InChIKeyPHKLHIWIWOZJTF-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 53.63
H-Bond Donors ≤ 50
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

butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 15055139
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
chloro-methoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
CID 13358091
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
CID 2361198
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
1-dichlorophosphorylsulfanylhexane
CID 19915290
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
CID 21391639

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane (CID 57280787) is butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane is CCCCSP(=S)(Cl)OC.
What is the InChIKey of butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane?
The InChIKey is PHKLHIWIWOZJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClOPS2/c1-3-4-5-10-8(6,9)7-2/h3-5H2,1-2H3.
What are the key properties of butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane?
butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane has a molecular weight of 218.71 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57280787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).