oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium

C9H8O2S2+2 — CID 174814891

IUPACoxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium
SMILESC#CC[S+]=O.O=[S+]c1ccccc1
InChIInChI=1S/C6H5OS.C3H3OS/c7-8-6-4-2-1-3-5-6;1-2-3-5-4/h1-5H;1H,3H2/q2*+1
InChIKeyCSZYCGIXZRRACS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.52
Rot. Bonds2

About oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium

oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium (PubChem CID 174814891) has the molecular formula C9H8O2S2+2 and a molecular weight of 212.29 g/mol. Its IUPAC name is oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium.

Molecular Properties

Compound Nameoxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium
PubChem CID174814891
Molecular FormulaC9H8O2S2+2
Molecular Weight212.29 g/mol
Exact Mass212.00
IUPAC Nameoxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium
SMILESC#CC[S+]=O.O=[S+]c1ccccc1
InChIInChI=1S/C6H5OS.C3H3OS/c7-8-6-4-2-1-3-5-6;1-2-3-5-4/h1-5H;1H,3H2/q2*+1
InChIKeyCSZYCGIXZRRACS-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl(prop-2-ynyl)iodanium
CID 102122048
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
but-1-yne;toluene
CID 160606146
hexa-1,5-diyne;phenol
CID 87989420
but-3-ynyl-iodo-triphenyl-λ5-phosphane
CID 162411782
N-but-3-ynyl-N-methylbenzamide
CID 10773933
1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
CID 3028843
(1,2-13C2)ethynylbenzene
CID 71309164
triphenyl(prop-2-ynyl)phosphanium bromide
CID 2724214
2-phenylpent-4-ynal
CID 14713497
2-phenyl-2-prop-2-ynylpent-4-ynoic acid
CID 24864797
N,N-bis(prop-2-ynyl)benzamide
CID 11790147

Frequently Asked Questions

What is the IUPAC name of oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium?
The IUPAC name of oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium (CID 174814891) is oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium.
What is the SMILES notation for oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium?
The canonical SMILES for oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium is C#CC[S+]=O.O=[S+]c1ccccc1.
What is the InChIKey of oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium?
The InChIKey is CSZYCGIXZRRACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5OS.C3H3OS/c7-8-6-4-2-1-3-5-6;1-2-3-5-4/h1-5H;1H,3H2/q2*+1.
What are the key properties of oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium?
oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium has a molecular weight of 212.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(phenyl)sulfanium;oxo(prop-2-ynyl)sulfanium is sourced from PubChem (CID 174814891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).