2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C7H15O2PS2 — CID 15467107

IUPAC2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCCCCSP1(=S)OCCCO1
InChIInChI=1S/C7H15O2PS2/c1-2-3-7-12-10(11)8-5-4-6-9-10/h2-7H2,1H3
InChIKeyVVWFOWBKVJSKOR-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.18
Rot. Bonds4

About 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 15467107) has the molecular formula C7H15O2PS2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID15467107
Molecular FormulaC7H15O2PS2
Molecular Weight226.30 g/mol
Exact Mass226.03
IUPAC Name2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCCCCSP1(=S)OCCCO1
InChIInChI=1S/C7H15O2PS2/c1-2-3-7-12-10(11)8-5-4-6-9-10/h2-7H2,1H3
InChIKeyVVWFOWBKVJSKOR-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl phosphorodithioate (6CI,7CI)
CID 17306
Diethyldithiophosphate
CID 53249491
5,5-Dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23416330
Potassium dipropyl dithiophosphate
CID 88730962
Sodium dipropyldithiophosphat
CID 88794363
Antimony dipropyldithiophosphate
CID 129819140
2-Methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 20185064
O-Ethyl S-propyl hydrogen phosphorodithioate
CID 10659877
O,O-diethyl S-propyl phosphorodithioate
CID 11401922
2-Methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 23262274
2-Ethylsulfanyl-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 58139738
O,O-Diethyl S-propan-2-yl phosphorodithioate
CID 298844

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 15467107) is 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is CCCCSP1(=S)OCCCO1.
What is the InChIKey of 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is VVWFOWBKVJSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2PS2/c1-2-3-7-12-10(11)8-5-4-6-9-10/h2-7H2,1H3.
What are the key properties of 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 226.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 15467107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).