[4-(4-arsanylphenyl)sulfanylphenyl]arsane

C12H12As2S — CID 173131290

IUPAC[4-(4-arsanylphenyl)sulfanylphenyl]arsane
SMILES[AsH2]c1ccc(Sc2ccc([AsH2])cc2)cc1
InChIInChI=1S/C12H12As2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyLMPGHQWLJJVGFF-UHFFFAOYSA-N
MW338.14 g/mol
LogP0.35
Rot. Bonds2

About [4-(4-arsanylphenyl)sulfanylphenyl]arsane

[4-(4-arsanylphenyl)sulfanylphenyl]arsane (PubChem CID 173131290) has the molecular formula C12H12As2S and a molecular weight of 338.14 g/mol. Its IUPAC name is [4-(4-arsanylphenyl)sulfanylphenyl]arsane.

Molecular Properties

Compound Name[4-(4-arsanylphenyl)sulfanylphenyl]arsane
PubChem CID173131290
Molecular FormulaC12H12As2S
Molecular Weight338.14 g/mol
Exact Mass337.91
IUPAC Name[4-(4-arsanylphenyl)sulfanylphenyl]arsane
SMILES[AsH2]c1ccc(Sc2ccc([AsH2])cc2)cc1
InChIInChI=1S/C12H12As2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyLMPGHQWLJJVGFF-UHFFFAOYSA-N
XLogP0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 50.35
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

1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
4-(4-aminophenyl)sulfanylaniline
CID 8765
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
dipotassium;4-(4-oxidophenyl)sulfanylphenolate
CID 132541568
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
4-(4-sulfinatophenyl)sulfanylbenzenesulfinate
CID 174875051
CID 66690055
CID 66690055
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
CID 102317381
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128

Frequently Asked Questions

What is the IUPAC name of [4-(4-arsanylphenyl)sulfanylphenyl]arsane?
The IUPAC name of [4-(4-arsanylphenyl)sulfanylphenyl]arsane (CID 173131290) is [4-(4-arsanylphenyl)sulfanylphenyl]arsane.
What is the SMILES notation for [4-(4-arsanylphenyl)sulfanylphenyl]arsane?
The canonical SMILES for [4-(4-arsanylphenyl)sulfanylphenyl]arsane is [AsH2]c1ccc(Sc2ccc([AsH2])cc2)cc1.
What is the InChIKey of [4-(4-arsanylphenyl)sulfanylphenyl]arsane?
The InChIKey is LMPGHQWLJJVGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12As2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2.
What are the key properties of [4-(4-arsanylphenyl)sulfanylphenyl]arsane?
[4-(4-arsanylphenyl)sulfanylphenyl]arsane has a molecular weight of 338.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-arsanylphenyl)sulfanylphenyl]arsane is sourced from PubChem (CID 173131290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).