diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

C8H19O2PS3 — CID 6541

IUPACdiethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCSC(C)C
InChIInChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3
InChIKeyQVSDWRRZCKGXCO-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.12
Rot. Bonds8

About diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 6541) has the molecular formula C8H19O2PS3 and a molecular weight of 274.41 g/mol. Its IUPAC name is diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID6541
Molecular FormulaC8H19O2PS3
Molecular Weight274.41 g/mol
Exact Mass274.03
IUPAC Namediethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCSC(C)C
InChIInChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3
InChIKeyQVSDWRRZCKGXCO-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
CID 4790
Phorate oxon
CID 75780
Demeton-O
CID 9273
Terbufos sulfoxide
CID 25355
Terbufos oxon
CID 13084212
Ipsp
CID 22083
Demephion-O
CID 115123
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-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 6541) is diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCSC(C)C.
What is the InChIKey of diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is QVSDWRRZCKGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 274.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 6541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).