[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane

C7H15Cl2OPS — CID 11860123

IUPAC[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCO[P@](=S)(C(Cl)Cl)[C@@H](C)CC
InChIInChI=1S/C7H15Cl2OPS/c1-4-6(3)11(12,7(8)9)10-5-2/h6-7H,4-5H2,1-3H3/t6-,11+/m0/s1
InChIKeyGALWQLNYXUTKJW-UPONEAKYSA-N
MW249.14 g/mol
LogP3.98
Rot. Bonds5

About [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane

[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane (PubChem CID 11860123) has the molecular formula C7H15Cl2OPS and a molecular weight of 249.14 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane
PubChem CID11860123
Molecular FormulaC7H15Cl2OPS
Molecular Weight249.14 g/mol
Exact Mass248.00
IUPAC Name[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCO[P@](=S)(C(Cl)Cl)[C@@H](C)CC
InChIInChI=1S/C7H15Cl2OPS/c1-4-6(3)11(12,7(8)9)10-5-2/h6-7H,4-5H2,1-3H3/t6-,11+/m0/s1
InChIKeyGALWQLNYXUTKJW-UPONEAKYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(butan-2-yl)-butoxy-sulfanylidene-λ5-phosphane
CID 134995425
2-diethoxyphosphorylbutane
CID 2733649
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
CID 11864446
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
diethoxy-propan-2-yl-selanylidene-lambda5-phosphane
CID 15503690
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane (CID 11860123) is [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane is CCO[P@](=S)(C(Cl)Cl)[C@@H](C)CC.
What is the InChIKey of [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is GALWQLNYXUTKJW-UPONEAKYSA-N. The full InChI is InChI=1S/C7H15Cl2OPS/c1-4-6(3)11(12,7(8)9)10-5-2/h6-7H,4-5H2,1-3H3/t6-,11+/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane?
[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 249.14 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11860123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).