butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane

C6H14ClPS2 — CID 15055139

IUPACbutylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCCCSP(=S)(Cl)CC
InChIInChI=1S/C6H14ClPS2/c1-3-5-6-10-8(7,9)4-2/h3-6H2,1-2H3
InChIKeyLPONKOPRELTTTA-UHFFFAOYSA-N
MW216.74 g/mol
LogP4.09
Rot. Bonds5

About butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane

butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane (PubChem CID 15055139) has the molecular formula C6H14ClPS2 and a molecular weight of 216.74 g/mol. Its IUPAC name is butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
PubChem CID15055139
Molecular FormulaC6H14ClPS2
Molecular Weight216.74 g/mol
Exact Mass216.00
IUPAC Namebutylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCCCSP(=S)(Cl)CC
InChIInChI=1S/C6H14ClPS2/c1-3-5-6-10-8(7,9)4-2/h3-6H2,1-2H3
InChIKeyLPONKOPRELTTTA-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 54.09
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'}

Analyze butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-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

dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
CID 57280787
N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
CID 2361198
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
1-dichlorophosphorylsulfanylhexane
CID 19915290
butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
CID 21391639
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 12874142
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane (CID 15055139) is butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane is CCCCSP(=S)(Cl)CC.
What is the InChIKey of butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is LPONKOPRELTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS2/c1-3-5-6-10-8(7,9)4-2/h3-6H2,1-2H3.
What are the key properties of butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 216.74 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 15055139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).