dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane

C6H15O2PS2 — CID 16737

IUPACdipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCOP(=S)(S)OCCC
InChIInChI=1S/C6H15O2PS2/c1-3-5-7-9(10,11)8-6-4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyZUNFAOLVHKUWCL-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.99
Rot. Bonds6

About dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane

dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 16737) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID16737
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namedipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCOP(=S)(S)OCCC
InChIInChI=1S/C6H15O2PS2/c1-3-5-7-9(10,11)8-6-4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyZUNFAOLVHKUWCL-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

O,O-Diethyl dithiophosphate
CID 9274
O,O-Diethyl S-methyl dithiophosphate
CID 18682
Triethyl phosphite
CID 31215
O,O-diethyl phosphorochloridothioate
CID 17305
O,O-diethyl phosphorothioate
CID 655
Diethyl thiophosphate
CID 3683036
o,o-diethyl thiophosphate potassium salt
CID 23664334
O,O-Bis(1-methylethyl) phosphorodithioate
CID 7876
O,O',O''-Triethyl phosphorothioate
CID 31354
Phosphorodithioic acid, O,O-dibutyl ester
CID 35228
Sodium diethyl phosphorodithioate
CID 11321726
Ammonium ethyl phosphorodithioate
CID 14036

Frequently Asked Questions

What is the IUPAC name of dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane (CID 16737) is dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane is CCCOP(=S)(S)OCCC.
What is the InChIKey of dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is ZUNFAOLVHKUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-3-5-7-9(10,11)8-6-4-2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxy-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 16737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).