3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane

C9H20O2PS2- — CID 86195651

IUPAC3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCC(C)CCOP(=S)([S-])OCC(C)C
InChIInChI=1S/C9H21O2PS2/c1-8(2)5-6-10-12(13,14)11-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/p-1
InChIKeyUVIOWNXVZLPNRX-UHFFFAOYSA-M
MW255.36 g/mol
LogP3.49
Rot. Bonds7

About 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane

3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 86195651) has the molecular formula C9H20O2PS2- and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Name3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
PubChem CID86195651
Molecular FormulaC9H20O2PS2-
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC Name3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
SMILESCC(C)CCOP(=S)([S-])OCC(C)C
InChIInChI=1S/C9H21O2PS2/c1-8(2)5-6-10-12(13,14)11-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/p-1
InChIKeyUVIOWNXVZLPNRX-UHFFFAOYSA-M
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
bis(4-methylpentoxy)-sulfanylidene-sulfido-λ5-phosphane;zinc
CID 160768800
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
CID 140546243
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
3-methylbutoxysilane
CID 123427672
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane (CID 86195651) is 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane is CC(C)CCOP(=S)([S-])OCC(C)C.
What is the InChIKey of 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is UVIOWNXVZLPNRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21O2PS2/c1-8(2)5-6-10-12(13,14)11-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/p-1.
What are the key properties of 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane?
3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 255.36 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 86195651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).