3-bis(phenylsulfanyl)arsanylpropane-1,2-diol

C15H17AsO2S2 — CID 10926698

IUPAC3-bis(phenylsulfanyl)arsanylpropane-1,2-diol
SMILESOCC(O)C[As](Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H17AsO2S2/c17-12-13(18)11-16(19-14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2
InChIKeyXJRYZPKDHUSRGO-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.41
Rot. Bonds7

About 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol

3-bis(phenylsulfanyl)arsanylpropane-1,2-diol (PubChem CID 10926698) has the molecular formula C15H17AsO2S2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol.

Molecular Properties

Compound Name3-bis(phenylsulfanyl)arsanylpropane-1,2-diol
PubChem CID10926698
Molecular FormulaC15H17AsO2S2
Molecular Weight368.36 g/mol
Exact Mass367.99
IUPAC Name3-bis(phenylsulfanyl)arsanylpropane-1,2-diol
SMILESOCC(O)C[As](Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H17AsO2S2/c17-12-13(18)11-16(19-14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2
InChIKeyXJRYZPKDHUSRGO-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol?
The IUPAC name of 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol (CID 10926698) is 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol.
What is the SMILES notation for 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol?
The canonical SMILES for 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol is OCC(O)C[As](Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol?
The InChIKey is XJRYZPKDHUSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17AsO2S2/c17-12-13(18)11-16(19-14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,13,17-18H,11-12H2.
What are the key properties of 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol?
3-bis(phenylsulfanyl)arsanylpropane-1,2-diol has a molecular weight of 368.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(phenylsulfanyl)arsanylpropane-1,2-diol is sourced from PubChem (CID 10926698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).