[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane

C12H24As2O2S — CID 173168145

IUPAC[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane
SMILESO=S(=O)(C1CCC([AsH2])CC1)C1CCC([AsH2])CC1
InChIInChI=1S/C12H24As2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeyLTTKHFIKAWVUHY-UHFFFAOYSA-N
MW382.23 g/mol
LogP1.13
Rot. Bonds2

About [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane

[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane (PubChem CID 173168145) has the molecular formula C12H24As2O2S and a molecular weight of 382.23 g/mol. Its IUPAC name is [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane.

Molecular Properties

Compound Name[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane
PubChem CID173168145
Molecular FormulaC12H24As2O2S
Molecular Weight382.23 g/mol
Exact Mass381.99
IUPAC Name[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane
SMILESO=S(=O)(C1CCC([AsH2])CC1)C1CCC([AsH2])CC1
InChIInChI=1S/C12H24As2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeyLTTKHFIKAWVUHY-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane?
The IUPAC name of [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane (CID 173168145) is [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane.
What is the SMILES notation for [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane?
The canonical SMILES for [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane is O=S(=O)(C1CCC([AsH2])CC1)C1CCC([AsH2])CC1.
What is the InChIKey of [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane?
The InChIKey is LTTKHFIKAWVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24As2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2.
What are the key properties of [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane?
[4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane has a molecular weight of 382.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-arsanylcyclohexyl)sulfonylcyclohexyl]arsane is sourced from PubChem (CID 173168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).