butyl-dihydroxy-sulfanylphosphanium

C4H12O2PS+ — CID 87060446

IUPACbutyl-dihydroxy-sulfanylphosphanium
SMILESCCCC[P+](O)(O)S
InChIInChI=1S/C4H12O2PS/c1-2-3-4-7(5,6)8/h5-6,8H,2-4H2,1H3/q+1
InChIKeyMTCUTOARIAGMQL-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.46
Rot. Bonds3

About butyl-dihydroxy-sulfanylphosphanium

butyl-dihydroxy-sulfanylphosphanium (PubChem CID 87060446) has the molecular formula C4H12O2PS+ and a molecular weight of 155.18 g/mol. Its IUPAC name is butyl-dihydroxy-sulfanylphosphanium.

Molecular Properties

Compound Namebutyl-dihydroxy-sulfanylphosphanium
PubChem CID87060446
Molecular FormulaC4H12O2PS+
Molecular Weight155.18 g/mol
Exact Mass155.03
IUPAC Namebutyl-dihydroxy-sulfanylphosphanium
SMILESCCCC[P+](O)(O)S
InChIInChI=1S/C4H12O2PS/c1-2-3-4-7(5,6)8/h5-6,8H,2-4H2,1H3/q+1
InChIKeyMTCUTOARIAGMQL-UHFFFAOYSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-dihydroxy-sulfanylphosphanium?
The IUPAC name of butyl-dihydroxy-sulfanylphosphanium (CID 87060446) is butyl-dihydroxy-sulfanylphosphanium.
What is the SMILES notation for butyl-dihydroxy-sulfanylphosphanium?
The canonical SMILES for butyl-dihydroxy-sulfanylphosphanium is CCCC[P+](O)(O)S.
What is the InChIKey of butyl-dihydroxy-sulfanylphosphanium?
The InChIKey is MTCUTOARIAGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2PS/c1-2-3-4-7(5,6)8/h5-6,8H,2-4H2,1H3/q+1.
What are the key properties of butyl-dihydroxy-sulfanylphosphanium?
butyl-dihydroxy-sulfanylphosphanium has a molecular weight of 155.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dihydroxy-sulfanylphosphanium is sourced from PubChem (CID 87060446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).