tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane

C21H33AsS — CID 87476421

IUPACtris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane
SMILESS=[As](C1CC2CCC1C2)(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C21H33AsS/c23-22(19-10-13-1-4-16(19)7-13,20-11-14-2-5-17(20)8-14)21-12-15-3-6-18(21)9-15/h13-21H,1-12H2
InChIKeyXXZPJJTXFMFNOD-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.70
Rot. Bonds3

About tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane

tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane (PubChem CID 87476421) has the molecular formula C21H33AsS and a molecular weight of 392.48 g/mol. Its IUPAC name is tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane.

Molecular Properties

Compound Nametris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane
PubChem CID87476421
Molecular FormulaC21H33AsS
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Nametris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane
SMILESS=[As](C1CC2CCC1C2)(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C21H33AsS/c23-22(19-10-13-1-4-16(19)7-13,20-11-14-2-5-17(20)8-14)21-12-15-3-6-18(21)9-15/h13-21H,1-12H2
InChIKeyXXZPJJTXFMFNOD-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.70
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

tricyclo[5.3.2.04,9]dodecane
CID 54490019
bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium
CID 171100432
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
2-bicyclo[2.2.1]heptanyl(difluoro)methanethiol
CID 88533789
2-bicyclo[2.2.1]heptanyl(sulfanyl)silane
CID 173447991
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215

Frequently Asked Questions

What is the IUPAC name of tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane?
The IUPAC name of tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane (CID 87476421) is tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane.
What is the SMILES notation for tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane?
The canonical SMILES for tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane is S=[As](C1CC2CCC1C2)(C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane?
The InChIKey is XXZPJJTXFMFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33AsS/c23-22(19-10-13-1-4-16(19)7-13,20-11-14-2-5-17(20)8-14)21-12-15-3-6-18(21)9-15/h13-21H,1-12H2.
What are the key properties of tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane?
tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane has a molecular weight of 392.48 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane is sourced from PubChem (CID 87476421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).