butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane

C7H17OPS2 — CID 23263335

IUPACbutan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCOP(C)(=S)SC(C)CC
InChIInChI=1S/C7H17OPS2/c1-5-7(3)11-9(4,10)8-6-2/h7H,5-6H2,1-4H3
InChIKeyFWNPSVUBRFYHQU-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.49
Rot. Bonds5

About butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane

butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 23263335) has the molecular formula C7H17OPS2 and a molecular weight of 212.32 g/mol. Its IUPAC name is butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID23263335
Molecular FormulaC7H17OPS2
Molecular Weight212.32 g/mol
Exact Mass212.05
IUPAC Namebutan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCOP(C)(=S)SC(C)CC
InChIInChI=1S/C7H17OPS2/c1-5-7(3)11-9(4,10)8-6-2/h7H,5-6H2,1-4H3
InChIKeyFWNPSVUBRFYHQU-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphorochloridodithioic acid, O-ethyl S-propyl ester
CID 170605
Phosphorotrithioic acid, O,S,S-triethyl ester
CID 76871
O-Methyl S,S-dipropyl phosphorotrithioate
CID 77740
Butoxy-bis(butylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13190005
Diethyldithiophosphonate
CID 57349655
O,S-Diethyl S-propyl phosphorotrithioate
CID 163360472
2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
Butylsulfanyl-dipropoxy-sulfanylidene-lambda5-phosphane
CID 101647163
S-Butyl o,o-diethyl phosphorodithioate
CID 298841
O,S-Diethyl methylphosphonodithioate
CID 565350
Diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
CID 11401922
Dipropoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598532

Frequently Asked Questions

What is the IUPAC name of butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane (CID 23263335) is butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane is CCOP(C)(=S)SC(C)CC.
What is the InChIKey of butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is FWNPSVUBRFYHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OPS2/c1-5-7(3)11-9(4,10)8-6-2/h7H,5-6H2,1-4H3.
What are the key properties of butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane?
butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 212.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylsulfanyl-ethoxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).