2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane

C7H13AsOS2 — CID 173088297

IUPAC2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane
SMILESS=[AsH](S)OC1CC2CCC1C2
InChIInChI=1S/C7H13AsOS2/c10-8(11)9-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2,(H,10,11)
InChIKeyHQSWCLAZGGQCFD-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.04
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane

2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane (PubChem CID 173088297) has the molecular formula C7H13AsOS2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane
PubChem CID173088297
Molecular FormulaC7H13AsOS2
Molecular Weight252.24 g/mol
Exact Mass251.96
IUPAC Name2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane
SMILESS=[AsH](S)OC1CC2CCC1C2
InChIInChI=1S/C7H13AsOS2/c10-8(11)9-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2,(H,10,11)
InChIKeyHQSWCLAZGGQCFD-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane (CID 173088297) is 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane is S=[AsH](S)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane?
The InChIKey is HQSWCLAZGGQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13AsOS2/c10-8(11)9-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2,(H,10,11).
What are the key properties of 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane?
2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane has a molecular weight of 252.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyloxy-sulfanyl-sulfanylidene-λ5-arsane is sourced from PubChem (CID 173088297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).