selanylsulfanylbenzene

C6H6SSe — CID 160613497

IUPACselanylsulfanylbenzene
SMILES[SeH]Sc1ccccc1
InChIInChI=1S/C6H6SSe/c8-7-6-4-2-1-3-5-6/h1-5,8H
InChIKeyRFTYUPUYONMXFU-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.59
Rot. Bonds1

About selanylsulfanylbenzene

selanylsulfanylbenzene (PubChem CID 160613497) has the molecular formula C6H6SSe and a molecular weight of 189.14 g/mol. Its IUPAC name is selanylsulfanylbenzene.

Molecular Properties

Compound Nameselanylsulfanylbenzene
PubChem CID160613497
Molecular FormulaC6H6SSe
Molecular Weight189.14 g/mol
Exact Mass189.94
IUPAC Nameselanylsulfanylbenzene
SMILES[SeH]Sc1ccccc1
InChIInChI=1S/C6H6SSe/c8-7-6-4-2-1-3-5-6/h1-5,8H
InChIKeyRFTYUPUYONMXFU-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 66690055
CID 66690055
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
S-phenylthiohydroxylamine;hydrochloride
CID 162320806
calcium sulfenatobenzene
CID 172805620
bis(phenylsulfanyl)phosphane
CID 69055094
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
magnesium;carbanide;methanidylsulfanylbenzene
CID 177471984
methoxymethane;phenylsulfanylbenzene
CID 175087336
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
CID 136778014
CID 136778014
bis(phenylsulfanyl)-propan-2-ylalumane
CID 140617828

Frequently Asked Questions

What is the IUPAC name of selanylsulfanylbenzene?
The IUPAC name of selanylsulfanylbenzene (CID 160613497) is selanylsulfanylbenzene.
What is the SMILES notation for selanylsulfanylbenzene?
The canonical SMILES for selanylsulfanylbenzene is [SeH]Sc1ccccc1.
What is the InChIKey of selanylsulfanylbenzene?
The InChIKey is RFTYUPUYONMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6SSe/c8-7-6-4-2-1-3-5-6/h1-5,8H.
What are the key properties of selanylsulfanylbenzene?
selanylsulfanylbenzene has a molecular weight of 189.14 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for selanylsulfanylbenzene is sourced from PubChem (CID 160613497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).