azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane

C6H18NO4PS — CID 175188464

IUPACazane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOCCOP(O)(O)=S.N
InChIInChI=1S/C6H15O4PS.H3N/c1-2-3-4-9-5-6-10-11(7,8)12;/h2-6H2,1H3,(H2,7,8,12);1H3
InChIKeyYHDPRLANMQOYCD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.19
Rot. Bonds7

About azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane

azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 175188464) has the molecular formula C6H18NO4PS and a molecular weight of 231.25 g/mol. Its IUPAC name is azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID175188464
Molecular FormulaC6H18NO4PS
Molecular Weight231.25 g/mol
Exact Mass231.07
IUPAC Nameazane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCOCCOP(O)(O)=S.N
InChIInChI=1S/C6H15O4PS.H3N/c1-2-3-4-9-5-6-10-11(7,8)12;/h2-6H2,1H3,(H2,7,8,12);1H3
InChIKeyYHDPRLANMQOYCD-UHFFFAOYSA-N
XLogP1.19
TPSA93.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
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

tris(2-butoxyethyl) phosphate
CID 6540
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
azane;1-propoxybutane
CID 87292575
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
bis(2-butoxyethyl) phosphate
CID 139596269
acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 88762245
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
2-butoxyethoxymethanol
CID 3019577

Frequently Asked Questions

What is the IUPAC name of azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 175188464) is azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane is CCCCOCCOP(O)(O)=S.N.
What is the InChIKey of azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is YHDPRLANMQOYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4PS.H3N/c1-2-3-4-9-5-6-10-11(7,8)12;/h2-6H2,1H3,(H2,7,8,12);1H3.
What are the key properties of azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane?
azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 231.25 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 175188464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).