diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

C7H17O2PS3 — CID 4790

IUPACdiethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCSCC
InChIInChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
InChIKeyBULVZWIRKLYCBC-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.73
Rot. Bonds8

About diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 4790) has the molecular formula C7H17O2PS3 and a molecular weight of 260.39 g/mol. Its IUPAC name is diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID4790
Molecular FormulaC7H17O2PS3
Molecular Weight260.39 g/mol
Exact Mass260.01
IUPAC Namediethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCSCC
InChIInChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
InChIKeyBULVZWIRKLYCBC-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Terbufos
CID 25670
Disulfoton
CID 3118
Phorate oxon
CID 75780
Phorate sulfoxide
CID 17424
Demeton-O
CID 9273
Ethyl phosphorodithioate (6CI,7CI)
CID 17306
Demeton-O-methyl
CID 13346
Demephion-O
CID 115123
O,O-Diethyl S-(((1-methylethyl)thio)methyl) phosphorodithioate
CID 6541
TM 12013
CID 75878
O-Ethyl S-(2-(ethylthio)ethyl) O-methyl phosphorodithioate
CID 81920
Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester
CID 120326

Frequently Asked Questions

What is the IUPAC name of diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 4790) is diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCSCC.
What is the InChIKey of diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is BULVZWIRKLYCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3.
What are the key properties of diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 260.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 4790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).