sulfanium ethylbenzene

C8H13S+ — CID 22726309

IUPACsulfanium ethylbenzene
SMILESCCc1ccccc1.[SH3+]
InChIInChI=1S/C8H10.H2S/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H2/p+1
InChIKeyFZJRFPCZJMZHMP-UHFFFAOYSA-O
MW141.26 g/mol
LogP1.44
Rot. Bonds1

About sulfanium ethylbenzene

sulfanium ethylbenzene (PubChem CID 22726309) has the molecular formula C8H13S+ and a molecular weight of 141.26 g/mol. Its IUPAC name is sulfanium ethylbenzene.

Molecular Properties

Compound Namesulfanium ethylbenzene
PubChem CID22726309
Molecular FormulaC8H13S+
Molecular Weight141.26 g/mol
Exact Mass141.07
IUPAC Namesulfanium ethylbenzene
SMILESCCc1ccccc1.[SH3+]
InChIInChI=1S/C8H10.H2S/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H2/p+1
InChIKeyFZJRFPCZJMZHMP-UHFFFAOYSA-O
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
ethane;ethylbenzene;methanol
CID 90833594
ethylazanium;ethylbenzene
CID 163634184
carbon monoxide;ethylbenzene
CID 158511344
acetylene;ethylbenzene;propane
CID 143490350
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethylbenzene;N-methylmethanamine
CID 19063869
chloro hypochlorite;ethylbenzene
CID 159036080

Frequently Asked Questions

What is the IUPAC name of sulfanium ethylbenzene?
The IUPAC name of sulfanium ethylbenzene (CID 22726309) is sulfanium ethylbenzene.
What is the SMILES notation for sulfanium ethylbenzene?
The canonical SMILES for sulfanium ethylbenzene is CCc1ccccc1.[SH3+].
What is the InChIKey of sulfanium ethylbenzene?
The InChIKey is FZJRFPCZJMZHMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10.H2S/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H2/p+1.
What are the key properties of sulfanium ethylbenzene?
sulfanium ethylbenzene has a molecular weight of 141.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanium ethylbenzene is sourced from PubChem (CID 22726309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).