butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

C6H15O2PS2 — CID 6424375

IUPACbutylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(OC)OC
InChIInChI=1S/C6H15O2PS2/c1-4-5-6-11-9(10,7-2)8-3/h4-6H2,1-3H3
InChIKeyKZYFACFLPAKPOY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.04
Rot. Bonds6

About butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 6424375) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID6424375
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namebutylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(OC)OC
InChIInChI=1S/C6H15O2PS2/c1-4-5-6-11-9(10,7-2)8-3/h4-6H2,1-3H3
InChIKeyKZYFACFLPAKPOY-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane (CID 6424375) is butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane is CCCCSP(=S)(OC)OC.
What is the InChIKey of butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is KZYFACFLPAKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-4-5-6-11-9(10,7-2)8-3/h4-6H2,1-3H3.
What are the key properties of butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane?
butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 6424375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).