butyl-ethylsulfanyl-dihydroxyphosphanium

C6H16O2PS+ — CID 172772660

IUPACbutyl-ethylsulfanyl-dihydroxyphosphanium
SMILESCCCC[P+](O)(O)SCC
InChIInChI=1S/C6H16O2PS/c1-3-5-6-9(7,8)10-4-2/h7-8H,3-6H2,1-2H3/q+1
InChIKeyNGNLAPARBNJNRR-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.29
Rot. Bonds5

About butyl-ethylsulfanyl-dihydroxyphosphanium

butyl-ethylsulfanyl-dihydroxyphosphanium (PubChem CID 172772660) has the molecular formula C6H16O2PS+ and a molecular weight of 183.23 g/mol. Its IUPAC name is butyl-ethylsulfanyl-dihydroxyphosphanium.

Molecular Properties

Compound Namebutyl-ethylsulfanyl-dihydroxyphosphanium
PubChem CID172772660
Molecular FormulaC6H16O2PS+
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namebutyl-ethylsulfanyl-dihydroxyphosphanium
SMILESCCCC[P+](O)(O)SCC
InChIInChI=1S/C6H16O2PS/c1-3-5-6-9(7,8)10-4-2/h7-8H,3-6H2,1-2H3/q+1
InChIKeyNGNLAPARBNJNRR-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172720711
CID 172720711
CID 172776718
CID 172776718
(2R)-2-hydroxyhexanoic acid
CID 6995511
hexan-2-ol;zirconium
CID 174835617
(5R,7S)-undecane-5,7-diol
CID 10899409
ethane;2-hydroxyhexanoic acid
CID 20976061
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
methanol;1-phosphanylpentan-1-ol
CID 89485720
hexan-2-ol;pentan-2-ol
CID 88680973
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of butyl-ethylsulfanyl-dihydroxyphosphanium?
The IUPAC name of butyl-ethylsulfanyl-dihydroxyphosphanium (CID 172772660) is butyl-ethylsulfanyl-dihydroxyphosphanium.
What is the SMILES notation for butyl-ethylsulfanyl-dihydroxyphosphanium?
The canonical SMILES for butyl-ethylsulfanyl-dihydroxyphosphanium is CCCC[P+](O)(O)SCC.
What is the InChIKey of butyl-ethylsulfanyl-dihydroxyphosphanium?
The InChIKey is NGNLAPARBNJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2PS/c1-3-5-6-9(7,8)10-4-2/h7-8H,3-6H2,1-2H3/q+1.
What are the key properties of butyl-ethylsulfanyl-dihydroxyphosphanium?
butyl-ethylsulfanyl-dihydroxyphosphanium has a molecular weight of 183.23 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethylsulfanyl-dihydroxyphosphanium is sourced from PubChem (CID 172772660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).